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/KFDV-a53d950c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KFDV-a53d950c/inputs/seq.fa: 1
curr_seq: _UGGUGAGAGUAGUCCGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGAGUAGUCCGGAUCC
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/KFDV-a53d950c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KFDV-a53d950c/inputs/seq.fa: 1
curr_seq: _UGGUGAGAGUAGUCCGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGAGUAGUCCGGAUCC
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/KFDV-a53d950c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KFDV-a53d950c/inputs/seq.fa: 1
curr_seq: _UGGUGAGAGUAGUCCGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGAGUAGUCCGGAUCC
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/KFDV-a53d950c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KFDV-a53d950c/inputs/seq.fa: 1
curr_seq: _UGGUGAGAGUAGUCCGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGAGUAGUCCGGAUCC
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/KFDV-a53d950c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KFDV-a53d950c/inputs/seq.fa: 1
curr_seq: _UGGUGAGAGUAGUCCGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGAGUAGUCCGGAUCC
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/KFDV-a53d950c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KFDV-a53d950c/inputs/seq.fa: 1
curr_seq: _UGGUGAGAGUAGUCCGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGAGUAGUCCGGAUCC
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/KFDV-a53d950c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KFDV-a53d950c/inputs/seq.fa: 1
curr_seq: _UGGUGAGAGUAGUCCGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGAGUAGUCCGGAUCC
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/KFDV-a53d950c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KFDV-a53d950c/inputs/seq.fa: 1
curr_seq: _UGGUGAGAGUAGUCCGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGAGUAGUCCGGAUCC
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/KFDV-a53d950c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KFDV-a53d950c/inputs/seq.fa: 1
curr_seq: _UGGUGAGAGUAGUCCGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGAGUAGUCCGGAUCC
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/KFDV-a53d950c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KFDV-a53d950c/inputs/seq.fa: 1
curr_seq: _UGGUGAGAGUAGUCCGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGAGUAGUCCGGAUCC
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.350
successfully initiated
.calculating
program compiled for parallel execution of replicas in Replica Exchange MC method
program can utilize maximum as many CPU cores as replicas, in this case: 10
==================================
temp. level: 1, replica: 1
=====================================
Write number: 1
Temperature: 0.900000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
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: -128.469445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.469445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.469445 (E_RNA)
where:
Base-Base interactions energy: -61.023
where: short stacking energy: -61.023
Base-Backbone interact. energy: -0.001
local terms energy: -67.445882
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -15.264
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -10.938
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: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -147.160467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.160467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.160467 (E_RNA)
where:
Base-Base interactions energy: -74.728
where: short stacking energy: -50.292
Base-Backbone interact. energy: -0.776
local terms energy: -71.656421
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -11.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -126.826824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.826824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.826824 (E_RNA)
where:
Base-Base interactions energy: -58.670
where: short stacking energy: -58.538
Base-Backbone interact. energy: -0.004
local terms energy: -68.152817
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -9.887
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -118.601322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.601322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.601322 (E_RNA)
where:
Base-Base interactions energy: -64.126
where: short stacking energy: -34.661
Base-Backbone interact. energy: -1.651
local terms energy: -52.824662
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -8.982
flat angles C4'-P-C4' energy: -10.362
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -5.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -102.356001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.356001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.356001 (E_RNA)
where:
Base-Base interactions energy: -45.141
where: short stacking energy: -45.141
Base-Backbone interact. energy: -0.096
local terms energy: -57.119263
where:
bonds (distance) C4'-P energy: -9.073
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -9.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -144.652197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.652197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.652197 (E_RNA)
where:
Base-Base interactions energy: -88.484
where: short stacking energy: -44.315
Base-Backbone interact. energy: -0.059
local terms energy: -56.109417
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -9.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -91.173232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.173232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.173232 (E_RNA)
where:
Base-Base interactions energy: -31.395
where: short stacking energy: -31.249
Base-Backbone interact. energy: 1.287
local terms energy: -61.065416
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -10.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -78.800125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.800125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.800125 (E_RNA)
where:
Base-Base interactions energy: -1.733
where: short stacking energy: -1.733
Base-Backbone interact. energy: -0.000
local terms energy: -77.067151
where:
bonds (distance) C4'-P energy: -20.287
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -17.478
tors. eta vs tors. theta energy: -4.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -78.800116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.800116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.800116 (E_RNA)
where:
Base-Base interactions energy: -1.733
where: short stacking energy: -1.733
Base-Backbone interact. energy: -0.000
local terms energy: -77.067151
where:
bonds (distance) C4'-P energy: -20.287
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -17.478
tors. eta vs tors. theta energy: -4.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -78.882317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.882317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.882317 (E_RNA)
where:
Base-Base interactions energy: -32.218
where: short stacking energy: -32.218
Base-Backbone interact. energy: -0.192
local terms energy: -46.473159
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -10.976
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -6.391
tors. eta vs tors. theta energy: -1.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -126.800066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.800066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.800066 (E_RNA)
where:
Base-Base interactions energy: -59.094
where: short stacking energy: -59.094
Base-Backbone interact. energy: -0.097
local terms energy: -67.609527
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -13.916
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: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -162.212926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.212926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.212926 (E_RNA)
where:
Base-Base interactions energy: -96.778
where: short stacking energy: -60.150
Base-Backbone interact. energy: -0.045
local terms energy: -65.389644
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -10.074
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: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -122.229726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.229726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.229726 (E_RNA)
where:
Base-Base interactions energy: -59.622
where: short stacking energy: -49.217
Base-Backbone interact. energy: -0.047
local terms energy: -62.561139
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -11.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -146.514671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.514671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.514671 (E_RNA)
where:
Base-Base interactions energy: -81.494
where: short stacking energy: -50.653
Base-Backbone interact. energy: -0.979
local terms energy: -64.041663
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -12.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -112.188529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.188529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.188529 (E_RNA)
where:
Base-Base interactions energy: -59.696
where: short stacking energy: -36.011
Base-Backbone interact. energy: -0.642
local terms energy: -51.850517
where:
bonds (distance) C4'-P energy: -10.430
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -11.686
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -5.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -160.212680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.212680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.212680 (E_RNA)
where:
Base-Base interactions energy: -98.397
where: short stacking energy: -47.116
Base-Backbone interact. energy: -0.016
local terms energy: -61.799431
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -9.242
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -16.359
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: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -96.846727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.846727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.846727 (E_RNA)
where:
Base-Base interactions energy: -40.113
where: short stacking energy: -35.000
Base-Backbone interact. energy: -0.101
local terms energy: -56.632894
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -6.756
tors. eta vs tors. theta energy: -10.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -97.988563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.988563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.988563 (E_RNA)
where:
Base-Base interactions energy: -42.694
where: short stacking energy: -35.783
Base-Backbone interact. energy: -0.242
local terms energy: -55.052911
where:
bonds (distance) C4'-P energy: -10.261
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -10.374
flat angles P-C4'-P energy: -9.230
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: 3
Temperature: 1.300000
Total energy: -88.331963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.331963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.331963 (E_RNA)
where:
Base-Base interactions energy: -41.371
where: short stacking energy: -29.770
Base-Backbone interact. energy: -0.113
local terms energy: -46.848532
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -11.033
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: -6.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -92.762339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.762339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.762339 (E_RNA)
where:
Base-Base interactions energy: -35.976
where: short stacking energy: -32.977
Base-Backbone interact. energy: -0.006
local terms energy: -56.779793
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -8.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -181.409542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.409542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.409542 (E_RNA)
where:
Base-Base interactions energy: -111.146
where: short stacking energy: -56.582
Base-Backbone interact. energy: -0.080
local terms energy: -70.183209
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -12.539
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: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -133.712759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.712759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.712759 (E_RNA)
where:
Base-Base interactions energy: -68.946
where: short stacking energy: -48.390
Base-Backbone interact. energy: -0.517
local terms energy: -64.250196
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -12.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -142.095261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.095261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.095261 (E_RNA)
where:
Base-Base interactions energy: -77.162
where: short stacking energy: -39.342
Base-Backbone interact. energy: -1.412
local terms energy: -63.521520
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -7.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -121.299118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.299118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.299118 (E_RNA)
where:
Base-Base interactions energy: -52.323
where: short stacking energy: -52.323
Base-Backbone interact. energy: -0.058
local terms energy: -68.917993
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -13.835
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: 5, replica: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -155.516516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.516516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.516516 (E_RNA)
where:
Base-Base interactions energy: -90.622
where: short stacking energy: -47.678
Base-Backbone interact. energy: -0.076
local terms energy: -64.818478
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -6.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -108.122873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.122873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.122873 (E_RNA)
where:
Base-Base interactions energy: -52.350
where: short stacking energy: -31.399
Base-Backbone interact. energy: 0.120
local terms energy: -55.892384
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -13.739
flat angles C4'-P-C4' energy: -10.017
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -5.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -99.001074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.001074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.001074 (E_RNA)
where:
Base-Base interactions energy: -44.585
where: short stacking energy: -24.928
Base-Backbone interact. energy: -0.894
local terms energy: -53.522677
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -10.866
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -2.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -87.414151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.414151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.414151 (E_RNA)
where:
Base-Base interactions energy: -35.462
where: short stacking energy: -15.817
Base-Backbone interact. energy: -0.693
local terms energy: -51.258416
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -3.564
tors. eta vs tors. theta energy: -0.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -88.244855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.244855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.244855 (E_RNA)
where:
Base-Base interactions energy: -39.110
where: short stacking energy: -26.954
Base-Backbone interact. energy: -0.045
local terms energy: -49.089985
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -10.027
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -2.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -71.976243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.976243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.976243 (E_RNA)
where:
Base-Base interactions energy: -27.083
where: short stacking energy: -27.083
Base-Backbone interact. energy: -0.406
local terms energy: -44.487506
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -12.520
flat angles C4'-P-C4' energy: -11.089
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: 1.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -185.297343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.297343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.297343 (E_RNA)
where:
Base-Base interactions energy: -105.377
where: short stacking energy: -61.102
Base-Backbone interact. energy: -1.194
local terms energy: -78.727090
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -20.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -138.067016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.067016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.067016 (E_RNA)
where:
Base-Base interactions energy: -60.325
where: short stacking energy: -57.621
Base-Backbone interact. energy: -0.045
local terms energy: -77.696980
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -11.999
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: 3, replica: 4
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -146.099585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.099585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.099585 (E_RNA)
where:
Base-Base interactions energy: -79.868
where: short stacking energy: -50.249
Base-Backbone interact. energy: -2.700
local terms energy: -63.532339
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -11.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -159.153646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.153646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.153646 (E_RNA)
where:
Base-Base interactions energy: -94.647
where: short stacking energy: -57.648
Base-Backbone interact. energy: -0.002
local terms energy: -64.503855
where:
bonds (distance) C4'-P energy: -11.835
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -11.255
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -13.909
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: 3
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -110.756033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.756033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.756033 (E_RNA)
where:
Base-Base interactions energy: -44.861
where: short stacking energy: -40.372
Base-Backbone interact. energy: -0.026
local terms energy: -65.868621
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -5.961
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: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -98.235836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.235836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.235836 (E_RNA)
where:
Base-Base interactions energy: -36.496
where: short stacking energy: -36.496
Base-Backbone interact. energy: -0.688
local terms energy: -61.052474
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -5.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -103.031576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.031576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.031576 (E_RNA)
where:
Base-Base interactions energy: -45.967
where: short stacking energy: -35.341
Base-Backbone interact. energy: -0.203
local terms energy: -56.862368
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -9.261
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -5.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -86.440834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.440834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.440834 (E_RNA)
where:
Base-Base interactions energy: -35.504
where: short stacking energy: -28.979
Base-Backbone interact. energy: -0.107
local terms energy: -50.829575
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -6.980
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -8.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -75.207297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.207297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.207297 (E_RNA)
where:
Base-Base interactions energy: -14.884
where: short stacking energy: -14.884
Base-Backbone interact. energy: -0.922
local terms energy: -59.400820
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -3.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -72.469481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.469481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.469481 (E_RNA)
where:
Base-Base interactions energy: -27.796
where: short stacking energy: -26.906
Base-Backbone interact. energy: -0.124
local terms energy: -44.550169
where:
bonds (distance) C4'-P energy: -8.240
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -8.283
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: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -161.595004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.595004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.595004 (E_RNA)
where:
Base-Base interactions energy: -89.466
where: short stacking energy: -58.702
Base-Backbone interact. energy: -0.343
local terms energy: -71.785734
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -11.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -145.084397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.084397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.084397 (E_RNA)
where:
Base-Base interactions energy: -80.757
where: short stacking energy: -44.952
Base-Backbone interact. energy: -0.985
local terms energy: -63.342364
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: -6.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -172.926717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.926717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.926717 (E_RNA)
where:
Base-Base interactions energy: -109.565
where: short stacking energy: -58.347
Base-Backbone interact. energy: -0.135
local terms energy: -63.226935
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -10.261
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: 4, replica: 4
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -131.362967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.362967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.362967 (E_RNA)
where:
Base-Base interactions energy: -75.299
where: short stacking energy: -42.502
Base-Backbone interact. energy: -1.284
local terms energy: -54.780824
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -11.050
flat angles C4'-P-C4' energy: -9.414
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -8.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -116.207567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.207567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.207567 (E_RNA)
where:
Base-Base interactions energy: -51.275
where: short stacking energy: -47.768
Base-Backbone interact. energy: -0.049
local terms energy: -64.882947
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -10.558
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: 6, replica: 3
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -109.923453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.923453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.923453 (E_RNA)
where:
Base-Base interactions energy: -49.013
where: short stacking energy: -31.827
Base-Backbone interact. energy: 0.302
local terms energy: -61.212402
where:
bonds (distance) C4'-P energy: -17.787
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -3.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -86.960763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.960763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.960763 (E_RNA)
where:
Base-Base interactions energy: -38.384
where: short stacking energy: -35.151
Base-Backbone interact. energy: -0.072
local terms energy: -48.505346
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -8.882
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -4.363
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: 8, replica: 5
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -100.555070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.555070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.555070 (E_RNA)
where:
Base-Base interactions energy: -45.196
where: short stacking energy: -39.878
Base-Backbone interact. energy: -0.538
local terms energy: -54.821475
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -8.611
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -11.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -90.330802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.330802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.330802 (E_RNA)
where:
Base-Base interactions energy: -40.672
where: short stacking energy: -31.280
Base-Backbone interact. energy: -0.184
local terms energy: -49.474421
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -3.993
tors. eta vs tors. theta energy: -6.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -78.301879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.301879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.301879 (E_RNA)
where:
Base-Base interactions energy: -36.315
where: short stacking energy: -30.694
Base-Backbone interact. energy: -0.179
local terms energy: -41.807803
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -12.115
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -2.344
tors. eta vs tors. theta energy: -2.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -178.001243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.001243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.001243 (E_RNA)
where:
Base-Base interactions energy: -101.163
where: short stacking energy: -65.798
Base-Backbone interact. energy: -0.193
local terms energy: -76.645203
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -14.842
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: 2, replica: 6
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -166.293380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.293380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.293380 (E_RNA)
where:
Base-Base interactions energy: -94.726
where: short stacking energy: -53.709
Base-Backbone interact. energy: -0.565
local terms energy: -71.003017
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -15.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -150.651358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.651358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.651358 (E_RNA)
where:
Base-Base interactions energy: -103.046
where: short stacking energy: -30.098
Base-Backbone interact. energy: -1.383
local terms energy: -46.222924
where:
bonds (distance) C4'-P energy: -10.049
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: 1.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -136.661085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.661085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.661085 (E_RNA)
where:
Base-Base interactions energy: -76.379
where: short stacking energy: -42.125
Base-Backbone interact. energy: -0.074
local terms energy: -60.207898
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -4.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -122.380397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.380397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.380397 (E_RNA)
where:
Base-Base interactions energy: -62.991
where: short stacking energy: -43.517
Base-Backbone interact. energy: -0.344
local terms energy: -59.044860
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -8.897
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: 6, replica: 8
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -92.628608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.628608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.628608 (E_RNA)
where:
Base-Base interactions energy: -37.592
where: short stacking energy: -30.381
Base-Backbone interact. energy: -0.089
local terms energy: -54.947859
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -0.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -86.739548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.739548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.739548 (E_RNA)
where:
Base-Base interactions energy: -27.477
where: short stacking energy: -27.477
Base-Backbone interact. energy: -0.720
local terms energy: -58.541965
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -8.093
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: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -91.938022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.938022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.938022 (E_RNA)
where:
Base-Base interactions energy: -43.419
where: short stacking energy: -34.098
Base-Backbone interact. energy: -0.083
local terms energy: -48.436402
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -3.096
tors. eta vs tors. theta energy: -1.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -80.953156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.953156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.953156 (E_RNA)
where:
Base-Base interactions energy: -29.360
where: short stacking energy: -21.103
Base-Backbone interact. energy: -0.429
local terms energy: -51.164122
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -12.667
flat angles C4'-P-C4' energy: -10.979
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -3.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -81.613070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.613070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.613070 (E_RNA)
where:
Base-Base interactions energy: -25.814
where: short stacking energy: -21.659
Base-Backbone interact. energy: -0.077
local terms energy: -55.722095
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -8.570
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: 1, replica: 6
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -172.937746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.937746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.937746 (E_RNA)
where:
Base-Base interactions energy: -106.647
where: short stacking energy: -58.512
Base-Backbone interact. energy: -0.256
local terms energy: -66.035338
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -11.892
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: 2, replica: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -169.930137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.930137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.930137 (E_RNA)
where:
Base-Base interactions energy: -97.083
where: short stacking energy: -63.495
Base-Backbone interact. energy: -0.990
local terms energy: -71.856753
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -19.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -123.207771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.207771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.207771 (E_RNA)
where:
Base-Base interactions energy: -60.271
where: short stacking energy: -52.762
Base-Backbone interact. energy: -0.050
local terms energy: -62.887263
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -8.631
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: 4, replica: 4
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -140.026633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.026633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.026633 (E_RNA)
where:
Base-Base interactions energy: -76.677
where: short stacking energy: -45.900
Base-Backbone interact. energy: -0.014
local terms energy: -63.335950
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -7.012
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: 5, replica: 9
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -110.772857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.772857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.772857 (E_RNA)
where:
Base-Base interactions energy: -46.342
where: short stacking energy: -46.342
Base-Backbone interact. energy: 1.524
local terms energy: -65.954580
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -4.750
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: 6, replica: 8
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -112.967861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.967861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.967861 (E_RNA)
where:
Base-Base interactions energy: -51.289
where: short stacking energy: -45.470
Base-Backbone interact. energy: -0.006
local terms energy: -61.672534
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -4.382
tors. eta vs tors. theta energy: -18.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -98.440395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.440395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.440395 (E_RNA)
where:
Base-Base interactions energy: -49.372
where: short stacking energy: -35.232
Base-Backbone interact. energy: -0.437
local terms energy: -48.631196
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -11.274
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -6.030
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: 8, replica: 3
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -85.746593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.746593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.746593 (E_RNA)
where:
Base-Base interactions energy: -29.777
where: short stacking energy: -29.777
Base-Backbone interact. energy: -0.164
local terms energy: -55.805708
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -2.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -79.672288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.672288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.672288 (E_RNA)
where:
Base-Base interactions energy: -29.263
where: short stacking energy: -29.231
Base-Backbone interact. energy: -0.237
local terms energy: -50.172748
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -11.518
flat angles C4'-P-C4' energy: -10.646
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -3.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -86.622090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.622090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.622090 (E_RNA)
where:
Base-Base interactions energy: -50.913
where: short stacking energy: -27.579
Base-Backbone interact. energy: 1.648
local terms energy: -37.357423
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -8.320
flat angles C4'-P-C4' energy: -7.115
flat angles P-C4'-P energy: -6.236
tors. eta vs tors. theta energy: -3.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -180.617192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.617192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.617192 (E_RNA)
where:
Base-Base interactions energy: -103.044
where: short stacking energy: -59.748
Base-Backbone interact. energy: -0.190
local terms energy: -77.383097
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -19.360
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -16.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -176.330794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.330794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.330794 (E_RNA)
where:
Base-Base interactions energy: -106.551
where: short stacking energy: -57.494
Base-Backbone interact. energy: -0.040
local terms energy: -69.739467
where:
bonds (distance) C4'-P energy: -8.431
bonds (distance) P-C4' energy: -15.975
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -17.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -131.706601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.706601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.706601 (E_RNA)
where:
Base-Base interactions energy: -65.376
where: short stacking energy: -56.691
Base-Backbone interact. energy: -0.206
local terms energy: -66.125523
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -11.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -120.491882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.491882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.491882 (E_RNA)
where:
Base-Base interactions energy: -58.183
where: short stacking energy: -58.183
Base-Backbone interact. energy: -0.020
local terms energy: -62.288338
where:
bonds (distance) C4'-P energy: -9.696
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -14.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -103.251803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.251803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.251803 (E_RNA)
where:
Base-Base interactions energy: -47.438
where: short stacking energy: -38.460
Base-Backbone interact. energy: -0.182
local terms energy: -55.632324
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -4.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -106.477582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.477582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.477582 (E_RNA)
where:
Base-Base interactions energy: -50.750
where: short stacking energy: -35.706
Base-Backbone interact. energy: -0.413
local terms energy: -55.313902
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -5.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -116.774232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.774232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.774232 (E_RNA)
where:
Base-Base interactions energy: -59.088
where: short stacking energy: -30.392
Base-Backbone interact. energy: -0.595
local terms energy: -57.090807
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -3.304
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: 7
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -88.903157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.903157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.903157 (E_RNA)
where:
Base-Base interactions energy: -53.391
where: short stacking energy: -25.785
Base-Backbone interact. energy: -0.132
local terms energy: -35.380325
where:
bonds (distance) C4'-P energy: -5.718
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -9.709
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -0.393
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: 9
Temperature: 1.300000
Total energy: -76.901061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.901061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.901061 (E_RNA)
where:
Base-Base interactions energy: -24.417
where: short stacking energy: -23.599
Base-Backbone interact. energy: 0.112
local terms energy: -52.595546
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -1.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -79.842246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.842246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.842246 (E_RNA)
where:
Base-Base interactions energy: -42.193
where: short stacking energy: -27.549
Base-Backbone interact. energy: -0.043
local terms energy: -37.606815
where:
bonds (distance) C4'-P energy: -4.202
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -6.853
tors. eta vs tors. theta energy: 4.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -204.359508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.359508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.359508 (E_RNA)
where:
Base-Base interactions energy: -128.322
where: short stacking energy: -55.661
Base-Backbone interact. energy: -0.146
local terms energy: -75.891689
where:
bonds (distance) C4'-P energy: -18.155
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -13.305
tors. eta vs tors. theta energy: -12.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -178.039073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.039073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.039073 (E_RNA)
where:
Base-Base interactions energy: -104.099
where: short stacking energy: -56.425
Base-Backbone interact. energy: -0.341
local terms energy: -73.599269
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -10.774
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: 3, replica: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -121.839612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.839612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.839612 (E_RNA)
where:
Base-Base interactions energy: -63.200
where: short stacking energy: -48.040
Base-Backbone interact. energy: -0.050
local terms energy: -58.589731
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -5.260
tors. eta vs tors. theta energy: -8.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -120.652306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.652306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.652306 (E_RNA)
where:
Base-Base interactions energy: -55.329
where: short stacking energy: -46.175
Base-Backbone interact. energy: -0.057
local terms energy: -65.265794
where:
bonds (distance) C4'-P energy: -10.095
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -11.976
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: 5, replica: 10
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -133.232662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.232662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.232662 (E_RNA)
where:
Base-Base interactions energy: -73.261
where: short stacking energy: -44.278
Base-Backbone interact. energy: -0.194
local terms energy: -59.777314
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -7.092
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: 6, replica: 4
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -104.260305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.260305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.260305 (E_RNA)
where:
Base-Base interactions energy: -44.211
where: short stacking energy: -40.083
Base-Backbone interact. energy: -0.310
local terms energy: -59.739528
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -6.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -134.573537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.573537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.573537 (E_RNA)
where:
Base-Base interactions energy: -73.366
where: short stacking energy: -38.047
Base-Backbone interact. energy: -1.111
local terms energy: -60.095915
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -11.352
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -10.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -86.217491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.217491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.217491 (E_RNA)
where:
Base-Base interactions energy: -43.986
where: short stacking energy: -28.553
Base-Backbone interact. energy: -0.103
local terms energy: -42.128184
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -7.706
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: -2.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -83.161495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.161495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.161495 (E_RNA)
where:
Base-Base interactions energy: -33.218
where: short stacking energy: -33.218
Base-Backbone interact. energy: -0.025
local terms energy: -49.918785
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -10.274
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -6.963
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: 10, replica: 5
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -85.492688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.492688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.492688 (E_RNA)
where:
Base-Base interactions energy: -42.154
where: short stacking energy: -26.785
Base-Backbone interact. energy: -0.326
local terms energy: -43.012584
where:
bonds (distance) C4'-P energy: -8.174
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -6.681
flat angles P-C4'-P energy: -11.177
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: 11
Temperature: 0.900000
Total energy: -198.315318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.315318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.315318 (E_RNA)
where:
Base-Base interactions energy: -137.498
where: short stacking energy: -62.110
Base-Backbone interact. energy: -0.030
local terms energy: -60.787324
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -6.142
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: 2, replica: 6
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -178.686607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.686607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.686607 (E_RNA)
where:
Base-Base interactions energy: -110.405
where: short stacking energy: -48.591
Base-Backbone interact. energy: -0.809
local terms energy: -67.472040
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -14.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -139.316418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.316418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.316418 (E_RNA)
where:
Base-Base interactions energy: -78.137
where: short stacking energy: -56.351
Base-Backbone interact. energy: -0.090
local terms energy: -61.089094
where:
bonds (distance) C4'-P energy: -8.740
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -9.121
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: 4, replica: 10
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -121.375754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.375754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.375754 (E_RNA)
where:
Base-Base interactions energy: -62.674
where: short stacking energy: -39.271
Base-Backbone interact. energy: -0.264
local terms energy: -58.437964
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -8.344
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -6.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -109.652011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.652011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.652011 (E_RNA)
where:
Base-Base interactions energy: -44.982
where: short stacking energy: -37.519
Base-Backbone interact. energy: -0.027
local terms energy: -64.642958
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -11.387
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: 7
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -161.249297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.249297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.249297 (E_RNA)
where:
Base-Base interactions energy: -94.245
where: short stacking energy: -49.799
Base-Backbone interact. energy: -0.065
local terms energy: -66.939727
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -13.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -106.319367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.319367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.319367 (E_RNA)
where:
Base-Base interactions energy: -62.503
where: short stacking energy: -24.067
Base-Backbone interact. energy: -0.121
local terms energy: -43.695971
where:
bonds (distance) C4'-P energy: -8.290
bonds (distance) P-C4' energy: -7.900
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -7.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -89.320052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.320052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.320052 (E_RNA)
where:
Base-Base interactions energy: -37.872
where: short stacking energy: -37.406
Base-Backbone interact. energy: -0.030
local terms energy: -51.418225
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: -6.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -77.561869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.561869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.561869 (E_RNA)
where:
Base-Base interactions energy: -29.213
where: short stacking energy: -27.330
Base-Backbone interact. energy: -0.745
local terms energy: -47.603188
where:
bonds (distance) C4'-P energy: -10.279
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -1.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -83.652718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.652718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.652718 (E_RNA)
where:
Base-Base interactions energy: -39.626
where: short stacking energy: -22.624
Base-Backbone interact. energy: -0.093
local terms energy: -43.933670
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: 2.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -202.079491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.079491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.079491 (E_RNA)
where:
Base-Base interactions energy: -127.892
where: short stacking energy: -57.779
Base-Backbone interact. energy: -0.330
local terms energy: -73.857131
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -16.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -199.980242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.980242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.980242 (E_RNA)
where:
Base-Base interactions energy: -131.247
where: short stacking energy: -55.515
Base-Backbone interact. energy: -0.004
local terms energy: -68.729589
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -9.967
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: 3, replica: 10
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -115.072428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.072428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.072428 (E_RNA)
where:
Base-Base interactions energy: -54.483
where: short stacking energy: -40.874
Base-Backbone interact. energy: -0.316
local terms energy: -60.273945
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -7.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -127.560020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.560020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.560020 (E_RNA)
where:
Base-Base interactions energy: -59.375
where: short stacking energy: -59.375
Base-Backbone interact. energy: -0.016
local terms energy: -68.168762
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -19.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -151.132946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.132946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.132946 (E_RNA)
where:
Base-Base interactions energy: -96.564
where: short stacking energy: -46.947
Base-Backbone interact. energy: -0.234
local terms energy: -54.335037
where:
bonds (distance) C4'-P energy: -10.310
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -11.402
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -8.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -115.871762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.871762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.871762 (E_RNA)
where:
Base-Base interactions energy: -61.108
where: short stacking energy: -46.561
Base-Backbone interact. energy: -0.234
local terms energy: -54.529158
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -6.547
tors. eta vs tors. theta energy: -10.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -108.314390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.314390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.314390 (E_RNA)
where:
Base-Base interactions energy: -62.678
where: short stacking energy: -24.443
Base-Backbone interact. energy: -0.048
local terms energy: -45.588553
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -15.668
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -2.480
tors. eta vs tors. theta energy: -3.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -84.926049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.926049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.926049 (E_RNA)
where:
Base-Base interactions energy: -33.369
where: short stacking energy: -26.075
Base-Backbone interact. energy: -0.057
local terms energy: -51.500282
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -2.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -84.378464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.378464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.378464 (E_RNA)
where:
Base-Base interactions energy: -37.061
where: short stacking energy: -37.061
Base-Backbone interact. energy: -0.124
local terms energy: -47.193489
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -10.347
flat angles C4'-P-C4' energy: -6.127
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: -9.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -87.614738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.614738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.614738 (E_RNA)
where:
Base-Base interactions energy: -33.273
where: short stacking energy: -33.273
Base-Backbone interact. energy: -0.066
local terms energy: -54.275427
where:
bonds (distance) C4'-P energy: -7.588
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -6.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -209.987575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.987575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.987575 (E_RNA)
where:
Base-Base interactions energy: -126.881
where: short stacking energy: -67.067
Base-Backbone interact. energy: -0.762
local terms energy: -82.344435
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -22.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -197.229579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.229579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.229579 (E_RNA)
where:
Base-Base interactions energy: -120.842
where: short stacking energy: -45.621
Base-Backbone interact. energy: -0.007
local terms energy: -76.380474
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -16.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -142.199194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.199194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.199194 (E_RNA)
where:
Base-Base interactions energy: -75.895
where: short stacking energy: -42.956
Base-Backbone interact. energy: -1.241
local terms energy: -65.063599
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -7.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -161.281946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.281946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.281946 (E_RNA)
where:
Base-Base interactions energy: -106.181
where: short stacking energy: -38.975
Base-Backbone interact. energy: 0.894
local terms energy: -55.994862
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -3.475
tors. eta vs tors. theta energy: -6.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -122.609330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.609330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.609330 (E_RNA)
where:
Base-Base interactions energy: -61.434
where: short stacking energy: -46.224
Base-Backbone interact. energy: -0.003
local terms energy: -61.172290
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -8.213
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: 6, replica: 9
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -95.321994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.321994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.321994 (E_RNA)
where:
Base-Base interactions energy: -45.158
where: short stacking energy: -24.447
Base-Backbone interact. energy: -0.420
local terms energy: -49.743714
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -1.060
tors. eta vs tors. theta energy: -2.975
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: 4
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -93.276754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.276754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.276754 (E_RNA)
where:
Base-Base interactions energy: -36.695
where: short stacking energy: -36.433
Base-Backbone interact. energy: -0.217
local terms energy: -56.364685
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -6.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -94.053645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.053645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.053645 (E_RNA)
where:
Base-Base interactions energy: -42.189
where: short stacking energy: -37.259
Base-Backbone interact. energy: -0.197
local terms energy: -51.667409
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -9.557
flat angles P-C4'-P energy: -5.802
tors. eta vs tors. theta energy: -7.261
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: 3
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -79.735737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.735737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.735737 (E_RNA)
where:
Base-Base interactions energy: -26.668
where: short stacking energy: -22.095
Base-Backbone interact. energy: -0.051
local terms energy: -53.016751
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -10.898
flat angles P-C4'-P energy: -12.676
tors. eta vs tors. theta energy: -2.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -80.701422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.701422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.701422 (E_RNA)
where:
Base-Base interactions energy: -38.516
where: short stacking energy: -25.762
Base-Backbone interact. energy: -0.100
local terms energy: -42.085241
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -10.394
flat angles C4'-P-C4' energy: -6.927
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: -1.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -210.968538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.968538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.968538 (E_RNA)
where:
Base-Base interactions energy: -131.545
where: short stacking energy: -74.737
Base-Backbone interact. energy: -0.010
local terms energy: -79.413726
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -19.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -193.363404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.363404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.363404 (E_RNA)
where:
Base-Base interactions energy: -122.911
where: short stacking energy: -48.620
Base-Backbone interact. energy: 0.193
local terms energy: -70.645680
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -12.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -173.679030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.679030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.679030 (E_RNA)
where:
Base-Base interactions energy: -115.780
where: short stacking energy: -50.349
Base-Backbone interact. energy: -0.208
local terms energy: -57.690905
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -10.077
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -10.527
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: 4, replica: 10
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -122.224392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.224392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.224392 (E_RNA)
where:
Base-Base interactions energy: -71.885
where: short stacking energy: -37.644
Base-Backbone interact. energy: 2.138
local terms energy: -52.477360
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -4.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -139.889840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.889840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.889840 (E_RNA)
where:
Base-Base interactions energy: -86.225
where: short stacking energy: -49.246
Base-Backbone interact. energy: -0.430
local terms energy: -53.235282
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -3.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -107.259092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.259092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.259092 (E_RNA)
where:
Base-Base interactions energy: -56.079
where: short stacking energy: -39.734
Base-Backbone interact. energy: -0.869
local terms energy: -50.311143
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -10.674
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -8.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -98.290570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.290570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.290570 (E_RNA)
where:
Base-Base interactions energy: -50.271
where: short stacking energy: -31.321
Base-Backbone interact. energy: 0.900
local terms energy: -48.919442
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -8.080
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -5.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -111.696221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.696221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.696221 (E_RNA)
where:
Base-Base interactions energy: -58.700
where: short stacking energy: -32.370
Base-Backbone interact. energy: -0.531
local terms energy: -52.465607
where:
bonds (distance) C4'-P energy: -7.147
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -6.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -83.876782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.876782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.876782 (E_RNA)
where:
Base-Base interactions energy: -34.924
where: short stacking energy: -34.924
Base-Backbone interact. energy: -0.238
local terms energy: -48.714858
where:
bonds (distance) C4'-P energy: -8.054
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -11.136
flat angles P-C4'-P energy: -7.751
tors. eta vs tors. theta energy: -5.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -74.124367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.124367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.124367 (E_RNA)
where:
Base-Base interactions energy: -29.005
where: short stacking energy: -18.115
Base-Backbone interact. energy: -0.150
local terms energy: -44.970064
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -11.797
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: 2.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -203.589435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.589435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.589435 (E_RNA)
where:
Base-Base interactions energy: -130.202
where: short stacking energy: -59.354
Base-Backbone interact. energy: -1.296
local terms energy: -72.091399
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -19.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -181.137533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.137533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.137533 (E_RNA)
where:
Base-Base interactions energy: -115.365
where: short stacking energy: -57.241
Base-Backbone interact. energy: -0.098
local terms energy: -65.674194
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -6.512
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: 3, replica: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -183.911617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.911617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.911617 (E_RNA)
where:
Base-Base interactions energy: -114.855
where: short stacking energy: -52.193
Base-Backbone interact. energy: -0.180
local terms energy: -68.876772
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -11.242
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -15.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -178.272985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.272985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.272985 (E_RNA)
where:
Base-Base interactions energy: -110.700
where: short stacking energy: -49.586
Base-Backbone interact. energy: -0.235
local terms energy: -67.337951
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -13.721
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -13.165
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: 10
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -156.981410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.981410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.981410 (E_RNA)
where:
Base-Base interactions energy: -90.737
where: short stacking energy: -54.430
Base-Backbone interact. energy: -0.862
local terms energy: -65.382756
where:
bonds (distance) C4'-P energy: -8.109
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -10.631
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: 6, replica: 5
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -88.341416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.341416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.341416 (E_RNA)
where:
Base-Base interactions energy: -33.431
where: short stacking energy: -26.259
Base-Backbone interact. energy: -0.125
local terms energy: -54.784599
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: 0.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -89.520376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.520376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.520376 (E_RNA)
where:
Base-Base interactions energy: -37.489
where: short stacking energy: -37.489
Base-Backbone interact. energy: 1.840
local terms energy: -53.871889
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -5.379
tors. eta vs tors. theta energy: -6.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -88.753906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.753906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.753906 (E_RNA)
where:
Base-Base interactions energy: -32.946
where: short stacking energy: -32.946
Base-Backbone interact. energy: -0.032
local terms energy: -55.775643
where:
bonds (distance) C4'-P energy: -7.797
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -5.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -99.857822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.857822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.857822 (E_RNA)
where:
Base-Base interactions energy: -59.326
where: short stacking energy: -32.317
Base-Backbone interact. energy: -1.574
local terms energy: -38.957872
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -7.656
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -6.146
tors. eta vs tors. theta energy: 0.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -72.254807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.254807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.254807 (E_RNA)
where:
Base-Base interactions energy: -33.394
where: short stacking energy: -26.729
Base-Backbone interact. energy: -0.177
local terms energy: -38.683618
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -10.748
flat angles P-C4'-P energy: -6.418
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: 1, replica: 6
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -208.246026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.246026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.246026 (E_RNA)
where:
Base-Base interactions energy: -135.990
where: short stacking energy: -63.541
Base-Backbone interact. energy: -0.022
local terms energy: -72.233324
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -19.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -186.035110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.035110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.035110 (E_RNA)
where:
Base-Base interactions energy: -116.987
where: short stacking energy: -41.846
Base-Backbone interact. energy: -0.699
local terms energy: -68.349178
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -16.423
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -12.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -182.124777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.124777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.124777 (E_RNA)
where:
Base-Base interactions energy: -116.597
where: short stacking energy: -52.970
Base-Backbone interact. energy: -0.033
local terms energy: -65.494517
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -11.305
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -6.223
tors. eta vs tors. theta energy: -16.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -150.079286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.079286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.079286 (E_RNA)
where:
Base-Base interactions energy: -90.910
where: short stacking energy: -38.761
Base-Backbone interact. energy: -0.402
local terms energy: -58.766691
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -6.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -153.623529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.623529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.623529 (E_RNA)
where:
Base-Base interactions energy: -91.195
where: short stacking energy: -46.049
Base-Backbone interact. energy: -0.425
local terms energy: -62.003507
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -13.149
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -8.978
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: 6, replica: 5
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -95.751308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.751308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.751308 (E_RNA)
where:
Base-Base interactions energy: -47.005
where: short stacking energy: -47.005
Base-Backbone interact. energy: 1.237
local terms energy: -49.982790
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -13.051
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -5.273
tors. eta vs tors. theta energy: -4.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -81.909882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.909882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.909882 (E_RNA)
where:
Base-Base interactions energy: -37.824
where: short stacking energy: -32.738
Base-Backbone interact. energy: -1.042
local terms energy: -43.043730
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -10.715
flat angles C4'-P-C4' energy: -11.153
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: 0.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -85.384894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.384894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.384894 (E_RNA)
where:
Base-Base interactions energy: -33.329
where: short stacking energy: -32.130
Base-Backbone interact. energy: -0.156
local terms energy: -51.899879
where:
bonds (distance) C4'-P energy: -12.440
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -4.319
tors. eta vs tors. theta energy: -5.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -82.763355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.763355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.763355 (E_RNA)
where:
Base-Base interactions energy: -33.651
where: short stacking energy: -33.651
Base-Backbone interact. energy: -0.087
local terms energy: -49.024537
where:
bonds (distance) C4'-P energy: -7.966
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -8.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -77.183194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.183194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.183194 (E_RNA)
where:
Base-Base interactions energy: -39.547
where: short stacking energy: -17.337
Base-Backbone interact. energy: -1.063
local terms energy: -36.572941
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -10.100
flat angles P-C4'-P energy: -6.516
tors. eta vs tors. theta energy: 3.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -209.533650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.533650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.533650 (E_RNA)
where:
Base-Base interactions energy: -129.969
where: short stacking energy: -61.291
Base-Backbone interact. energy: -0.426
local terms energy: -79.139023
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -16.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -190.455320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.455320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.455320 (E_RNA)
where:
Base-Base interactions energy: -133.092
where: short stacking energy: -48.999
Base-Backbone interact. energy: 0.130
local terms energy: -57.492647
where:
bonds (distance) C4'-P energy: -8.650
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -6.412
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: 3, replica: 7
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -181.241298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.241298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.241298 (E_RNA)
where:
Base-Base interactions energy: -119.265
where: short stacking energy: -46.733
Base-Backbone interact. energy: -1.225
local terms energy: -60.751599
where:
bonds (distance) C4'-P energy: -10.326
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -9.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -159.681599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.681599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.681599 (E_RNA)
where:
Base-Base interactions energy: -94.347
where: short stacking energy: -45.242
Base-Backbone interact. energy: -0.610
local terms energy: -64.724328
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -10.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -147.102123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.102123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.102123 (E_RNA)
where:
Base-Base interactions energy: -85.636
where: short stacking energy: -45.105
Base-Backbone interact. energy: -0.471
local terms energy: -60.996040
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -16.900
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -5.763
tors. eta vs tors. theta energy: -8.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -119.776212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.776212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.776212 (E_RNA)
where:
Base-Base interactions energy: -65.450
where: short stacking energy: -37.855
Base-Backbone interact. energy: 0.353
local terms energy: -54.679024
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -0.151
tors. eta vs tors. theta energy: -12.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -99.138510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.138510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.138510 (E_RNA)
where:
Base-Base interactions energy: -42.778
where: short stacking energy: -34.414
Base-Backbone interact. energy: -0.248
local terms energy: -56.113151
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -10.693
flat angles P-C4'-P energy: -10.444
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: 8, replica: 3
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -97.543184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.543184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.543184 (E_RNA)
where:
Base-Base interactions energy: -43.674
where: short stacking energy: -38.547
Base-Backbone interact. energy: -0.013
local terms energy: -53.856787
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -17.385
flat angles P-C4'-P energy: -1.802
tors. eta vs tors. theta energy: -7.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -78.191602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.191602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.191602 (E_RNA)
where:
Base-Base interactions energy: -27.927
where: short stacking energy: -27.927
Base-Backbone interact. energy: -0.127
local terms energy: -50.137049
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -9.411
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -3.072
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: 10, replica: 4
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -80.764513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.764513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.764513 (E_RNA)
where:
Base-Base interactions energy: -30.942
where: short stacking energy: -19.812
Base-Backbone interact. energy: -0.234
local terms energy: -49.588226
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: 0.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -187.007001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.007001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.007001 (E_RNA)
where:
Base-Base interactions energy: -115.753
where: short stacking energy: -47.928
Base-Backbone interact. energy: -0.555
local terms energy: -70.698777
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -11.674
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: 2, replica: 6
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -193.954408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.954408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.954408 (E_RNA)
where:
Base-Base interactions energy: -124.338
where: short stacking energy: -56.001
Base-Backbone interact. energy: -0.232
local terms energy: -69.383594
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -18.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -172.391485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.391485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.391485 (E_RNA)
where:
Base-Base interactions energy: -99.066
where: short stacking energy: -55.612
Base-Backbone interact. energy: -0.191
local terms energy: -73.135182
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -12.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -179.804970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.804970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.804970 (E_RNA)
where:
Base-Base interactions energy: -112.880
where: short stacking energy: -48.210
Base-Backbone interact. energy: -0.372
local terms energy: -66.553493
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -13.292
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: 5, replica: 9
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -123.943257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.943257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.943257 (E_RNA)
where:
Base-Base interactions energy: -73.003
where: short stacking energy: -39.052
Base-Backbone interact. energy: -0.217
local terms energy: -50.722987
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -12.084
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: 0.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -163.186977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.186977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.186977 (E_RNA)
where:
Base-Base interactions energy: -96.356
where: short stacking energy: -45.459
Base-Backbone interact. energy: -0.158
local terms energy: -66.673056
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -14.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -90.814037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.814037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.814037 (E_RNA)
where:
Base-Base interactions energy: -42.942
where: short stacking energy: -32.166
Base-Backbone interact. energy: -0.094
local terms energy: -47.777839
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -7.376
flat angles P-C4'-P energy: -5.977
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: 8, replica: 5
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -80.544260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.544260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.544260 (E_RNA)
where:
Base-Base interactions energy: -35.599
where: short stacking energy: -24.556
Base-Backbone interact. energy: -0.040
local terms energy: -44.905080
where:
bonds (distance) C4'-P energy: -8.442
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -10.684
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -3.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -82.531674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.531674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.531674 (E_RNA)
where:
Base-Base interactions energy: -33.574
where: short stacking energy: -21.199
Base-Backbone interact. energy: -0.177
local terms energy: -48.780662
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: 5.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -81.801318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.801318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.801318 (E_RNA)
where:
Base-Base interactions energy: -42.877
where: short stacking energy: -25.559
Base-Backbone interact. energy: -0.179
local terms energy: -38.744420
where:
bonds (distance) C4'-P energy: -7.424
bonds (distance) P-C4' energy: -9.528
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -5.012
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: 19
Temperature: 0.900000
Total energy: -186.674340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.674340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.674340 (E_RNA)
where:
Base-Base interactions energy: -116.305
where: short stacking energy: -52.383
Base-Backbone interact. energy: -0.638
local terms energy: -69.730597
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -17.640
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -11.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -180.631885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.631885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.631885 (E_RNA)
where:
Base-Base interactions energy: -108.909
where: short stacking energy: -58.342
Base-Backbone interact. energy: -1.841
local terms energy: -69.881425
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -17.574
flat angles C4'-P-C4' energy: -10.779
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -18.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -188.801863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.801863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.801863 (E_RNA)
where:
Base-Base interactions energy: -125.184
where: short stacking energy: -65.200
Base-Backbone interact. energy: -0.283
local terms energy: -63.334934
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -10.058
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: 4, replica: 7
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -196.321531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.321531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.321531 (E_RNA)
where:
Base-Base interactions energy: -132.377
where: short stacking energy: -46.525
Base-Backbone interact. energy: -0.710
local terms energy: -63.234898
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -9.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -137.833396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.833396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.833396 (E_RNA)
where:
Base-Base interactions energy: -79.615
where: short stacking energy: -40.157
Base-Backbone interact. energy: -0.963
local terms energy: -57.255472
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -15.834
flat angles C4'-P-C4' energy: -10.610
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -6.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -174.930955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.930955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.930955 (E_RNA)
where:
Base-Base interactions energy: -123.037
where: short stacking energy: -53.774
Base-Backbone interact. energy: -0.190
local terms energy: -51.703979
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -11.713
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -6.434
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: 3
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -91.502114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.502114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.502114 (E_RNA)
where:
Base-Base interactions energy: -42.501
where: short stacking energy: -27.544
Base-Backbone interact. energy: -0.088
local terms energy: -48.912506
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -11.692
flat angles P-C4'-P energy: -5.324
tors. eta vs tors. theta energy: -4.740
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: 1
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -99.358653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.358653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.358653 (E_RNA)
where:
Base-Base interactions energy: -47.809
where: short stacking energy: -33.806
Base-Backbone interact. energy: -0.168
local terms energy: -51.381531
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -9.445
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -1.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -84.478628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.478628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.478628 (E_RNA)
where:
Base-Base interactions energy: -43.519
where: short stacking energy: -27.177
Base-Backbone interact. energy: -0.135
local terms energy: -40.824729
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -12.075
flat angles C4'-P-C4' energy: -9.687
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: -0.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -85.871981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.871981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.871981 (E_RNA)
where:
Base-Base interactions energy: -40.777
where: short stacking energy: -19.128
Base-Backbone interact. energy: 0.354
local terms energy: -45.448423
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -11.568
flat angles C4'-P-C4' energy: -12.201
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -2.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -182.759282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.759282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.759282 (E_RNA)
where:
Base-Base interactions energy: -121.963
where: short stacking energy: -48.476
Base-Backbone interact. energy: -0.269
local terms energy: -60.527465
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -2.828
tors. eta vs tors. theta energy: -11.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -185.928668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.928668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.928668 (E_RNA)
where:
Base-Base interactions energy: -113.393
where: short stacking energy: -43.266
Base-Backbone interact. energy: -0.615
local terms energy: -71.920529
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -13.360
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: 3, replica: 7
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -212.534172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.534172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.534172 (E_RNA)
where:
Base-Base interactions energy: -147.105
where: short stacking energy: -50.717
Base-Backbone interact. energy: -1.063
local terms energy: -64.365466
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -5.330
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: 4, replica: 10
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -193.308900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.308900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.308900 (E_RNA)
where:
Base-Base interactions energy: -123.368
where: short stacking energy: -66.302
Base-Backbone interact. energy: -0.001
local terms energy: -69.939922
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -11.014
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -12.885
tors. eta vs tors. theta energy: -19.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -154.195293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.195293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.195293 (E_RNA)
where:
Base-Base interactions energy: -107.677
where: short stacking energy: -48.651
Base-Backbone interact. energy: -0.757
local terms energy: -45.761125
where:
bonds (distance) C4'-P energy: -8.692
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -9.863
flat angles P-C4'-P energy: -5.705
tors. eta vs tors. theta energy: -8.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -191.690848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.690848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.690848 (E_RNA)
where:
Base-Base interactions energy: -121.290
where: short stacking energy: -62.098
Base-Backbone interact. energy: -0.591
local terms energy: -69.809259
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -11.422
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -18.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -90.421953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.421953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.421953 (E_RNA)
where:
Base-Base interactions energy: -36.849
where: short stacking energy: -29.131
Base-Backbone interact. energy: -0.377
local terms energy: -53.196812
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: -4.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -101.780680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.780680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.780680 (E_RNA)
where:
Base-Base interactions energy: -60.725
where: short stacking energy: -34.161
Base-Backbone interact. energy: -0.796
local terms energy: -40.259167
where:
bonds (distance) C4'-P energy: -9.230
bonds (distance) P-C4' energy: -9.952
flat angles C4'-P-C4' energy: -9.122
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -2.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -88.268147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.268147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.268147 (E_RNA)
where:
Base-Base interactions energy: -40.424
where: short stacking energy: -28.919
Base-Backbone interact. energy: -0.831
local terms energy: -47.012521
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: 1.117
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: 5
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -72.248390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.248390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.248390 (E_RNA)
where:
Base-Base interactions energy: -23.085
where: short stacking energy: -18.173
Base-Backbone interact. energy: -0.122
local terms energy: -49.041681
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -15.810
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: 1.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -201.553779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.553779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.553779 (E_RNA)
where:
Base-Base interactions energy: -139.395
where: short stacking energy: -41.810
Base-Backbone interact. energy: -0.120
local terms energy: -62.038473
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -7.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -217.280475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.280475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.280475 (E_RNA)
where:
Base-Base interactions energy: -153.019
where: short stacking energy: -57.147
Base-Backbone interact. energy: -1.290
local terms energy: -62.971543
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: -12.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -180.877797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.877797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.877797 (E_RNA)
where:
Base-Base interactions energy: -111.375
where: short stacking energy: -52.963
Base-Backbone interact. energy: 0.186
local terms energy: -69.688543
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -14.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -177.137646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.137646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.137646 (E_RNA)
where:
Base-Base interactions energy: -107.648
where: short stacking energy: -49.631
Base-Backbone interact. energy: -0.008
local terms energy: -69.481518
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -13.233
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: 9
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -145.213521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.213521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.213521 (E_RNA)
where:
Base-Base interactions energy: -91.918
where: short stacking energy: -41.189
Base-Backbone interact. energy: -0.290
local terms energy: -53.004990
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -13.062
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -7.605
tors. eta vs tors. theta energy: -5.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -185.037111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.037111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.037111 (E_RNA)
where:
Base-Base interactions energy: -124.090
where: short stacking energy: -60.869
Base-Backbone interact. energy: -0.035
local terms energy: -60.912229
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -11.020
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -12.902
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: 3
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -105.522536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.522536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.522536 (E_RNA)
where:
Base-Base interactions energy: -46.955
where: short stacking energy: -33.936
Base-Backbone interact. energy: -0.406
local terms energy: -58.161114
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -6.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -90.414251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.414251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.414251 (E_RNA)
where:
Base-Base interactions energy: -42.666
where: short stacking energy: -42.666
Base-Backbone interact. energy: -0.258
local terms energy: -47.490599
where:
bonds (distance) C4'-P energy: -8.473
bonds (distance) P-C4' energy: -11.320
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -6.787
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: 1
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -71.555613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.555613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.555613 (E_RNA)
where:
Base-Base interactions energy: -28.415
where: short stacking energy: -17.186
Base-Backbone interact. energy: 0.096
local terms energy: -43.236733
where:
bonds (distance) C4'-P energy: -4.878
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -9.684
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -5.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -77.198124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.198124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.198124 (E_RNA)
where:
Base-Base interactions energy: -31.379
where: short stacking energy: -25.982
Base-Backbone interact. energy: -0.174
local terms energy: -45.645535
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: 5.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -205.795806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.795806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.795806 (E_RNA)
where:
Base-Base interactions energy: -137.995
where: short stacking energy: -51.392
Base-Backbone interact. energy: -0.788
local terms energy: -67.013410
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -11.591
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: 2, replica: 7
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -205.584687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.584687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.584687 (E_RNA)
where:
Base-Base interactions energy: -140.034
where: short stacking energy: -51.965
Base-Backbone interact. energy: -0.621
local terms energy: -64.930067
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -10.640
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: 10
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -186.332043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.332043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.332043 (E_RNA)
where:
Base-Base interactions energy: -109.162
where: short stacking energy: -47.441
Base-Backbone interact. energy: -0.487
local terms energy: -76.683203
where:
bonds (distance) C4'-P energy: -12.520
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -19.841
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: 22
Temperature: 1.050000
Total energy: -170.042315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.042315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.042315 (E_RNA)
where:
Base-Base interactions energy: -100.560
where: short stacking energy: -56.701
Base-Backbone interact. energy: -0.012
local terms energy: -69.470364
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -12.105
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: 8
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -158.571050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.571050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.571050 (E_RNA)
where:
Base-Base interactions energy: -96.193
where: short stacking energy: -45.419
Base-Backbone interact. energy: -0.035
local terms energy: -62.343475
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -9.800
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -11.974
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: 9
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -141.449865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.449865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.449865 (E_RNA)
where:
Base-Base interactions energy: -85.956
where: short stacking energy: -44.277
Base-Backbone interact. energy: -0.145
local terms energy: -55.349032
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -6.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -87.812625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.812625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.812625 (E_RNA)
where:
Base-Base interactions energy: -37.611
where: short stacking energy: -33.668
Base-Backbone interact. energy: -1.465
local terms energy: -48.736191
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -3.363
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: 8, replica: 3
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -88.407597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.407597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.407597 (E_RNA)
where:
Base-Base interactions energy: -36.113
where: short stacking energy: -34.112
Base-Backbone interact. energy: 0.765
local terms energy: -53.059662
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -0.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -117.159123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.159123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.159123 (E_RNA)
where:
Base-Base interactions energy: -60.663
where: short stacking energy: -35.197
Base-Backbone interact. energy: -0.219
local terms energy: -56.276690
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -5.286
tors. eta vs tors. theta energy: -7.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -73.695592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.695592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.695592 (E_RNA)
where:
Base-Base interactions energy: -24.276
where: short stacking energy: -24.276
Base-Backbone interact. energy: -0.125
local terms energy: -49.295090
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -1.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -208.741637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.741637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.741637 (E_RNA)
where:
Base-Base interactions energy: -136.405
where: short stacking energy: -47.817
Base-Backbone interact. energy: -2.044
local terms energy: -70.293300
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -15.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -199.133424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.133424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.133424 (E_RNA)
where:
Base-Base interactions energy: -134.279
where: short stacking energy: -56.197
Base-Backbone interact. energy: -0.177
local terms energy: -64.677529
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -13.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -197.755732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.755732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.755732 (E_RNA)
where:
Base-Base interactions energy: -130.548
where: short stacking energy: -67.650
Base-Backbone interact. energy: -0.008
local terms energy: -67.200526
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -10.606
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -20.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -166.957011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.957011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.957011 (E_RNA)
where:
Base-Base interactions energy: -94.436
where: short stacking energy: -61.483
Base-Backbone interact. energy: -0.385
local terms energy: -72.135754
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -13.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -181.139663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.139663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.139663 (E_RNA)
where:
Base-Base interactions energy: -111.885
where: short stacking energy: -52.142
Base-Backbone interact. energy: -0.486
local terms energy: -68.768862
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -11.649
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: 9
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -157.290510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.290510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.290510 (E_RNA)
where:
Base-Base interactions energy: -97.427
where: short stacking energy: -51.696
Base-Backbone interact. energy: -0.141
local terms energy: -59.722340
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -8.305
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: 7, replica: 4
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -91.666566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.666566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.666566 (E_RNA)
where:
Base-Base interactions energy: -40.049
where: short stacking energy: -40.049
Base-Backbone interact. energy: -0.162
local terms energy: -51.455774
where:
bonds (distance) C4'-P energy: -7.071
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -11.770
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -8.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -89.268753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.268753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.268753 (E_RNA)
where:
Base-Base interactions energy: -38.349
where: short stacking energy: -23.509
Base-Backbone interact. energy: -0.468
local terms energy: -50.451200
where:
bonds (distance) C4'-P energy: -9.611
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -2.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -79.510492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.510492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.510492 (E_RNA)
where:
Base-Base interactions energy: -34.361
where: short stacking energy: -10.734
Base-Backbone interact. energy: -0.427
local terms energy: -44.722211
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -9.129
flat angles P-C4'-P energy: -4.763
tors. eta vs tors. theta energy: 0.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -76.824756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.824756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.824756 (E_RNA)
where:
Base-Base interactions energy: -31.258
where: short stacking energy: -31.212
Base-Backbone interact. energy: -2.030
local terms energy: -43.536309
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -10.416
flat angles P-C4'-P energy: -5.206
tors. eta vs tors. theta energy: -2.675
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: 1, replica: 7
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -210.137036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.137036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.137036 (E_RNA)
where:
Base-Base interactions energy: -135.264
where: short stacking energy: -58.124
Base-Backbone interact. energy: -2.090
local terms energy: -72.782828
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -11.119
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: 2, replica: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -205.965914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.965914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.965914 (E_RNA)
where:
Base-Base interactions energy: -138.137
where: short stacking energy: -51.911
Base-Backbone interact. energy: -0.185
local terms energy: -67.644449
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -9.957
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: 3, replica: 10
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -188.881036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.881036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.881036 (E_RNA)
where:
Base-Base interactions energy: -118.845
where: short stacking energy: -69.176
Base-Backbone interact. energy: -0.013
local terms energy: -70.023103
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -9.511
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: 4, replica: 8
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -171.450521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.450521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.450521 (E_RNA)
where:
Base-Base interactions energy: -100.232
where: short stacking energy: -53.160
Base-Backbone interact. energy: -2.185
local terms energy: -69.033394
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -16.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -174.372295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.372295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.372295 (E_RNA)
where:
Base-Base interactions energy: -105.368
where: short stacking energy: -63.237
Base-Backbone interact. energy: -0.060
local terms energy: -68.943753
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -9.590
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: 6, replica: 6
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -154.816071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.816071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.816071 (E_RNA)
where:
Base-Base interactions energy: -90.888
where: short stacking energy: -54.991
Base-Backbone interact. energy: -0.023
local terms energy: -63.905197
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -16.245
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -13.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -95.897519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.897519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.897519 (E_RNA)
where:
Base-Base interactions energy: -39.747
where: short stacking energy: -38.488
Base-Backbone interact. energy: -0.266
local terms energy: -55.884576
where:
bonds (distance) C4'-P energy: -8.821
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -8.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -98.815114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.815114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.815114 (E_RNA)
where:
Base-Base interactions energy: -48.123
where: short stacking energy: -35.080
Base-Backbone interact. energy: -0.127
local terms energy: -50.564721
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -3.145
tors. eta vs tors. theta energy: -6.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -90.798225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.798225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.798225 (E_RNA)
where:
Base-Base interactions energy: -32.187
where: short stacking energy: -32.103
Base-Backbone interact. energy: -0.445
local terms energy: -58.166691
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -10.641
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -8.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -121.621939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.621939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.621939 (E_RNA)
where:
Base-Base interactions energy: -73.145
where: short stacking energy: -36.253
Base-Backbone interact. energy: -0.219
local terms energy: -48.258190
where:
bonds (distance) C4'-P energy: -10.240
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -6.017
tors. eta vs tors. theta energy: -3.315
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: 7
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -227.134050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.134050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.134050 (E_RNA)
where:
Base-Base interactions energy: -152.828
where: short stacking energy: -72.540
Base-Backbone interact. energy: -0.469
local terms energy: -73.836760
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -18.640
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: 2
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -204.796475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.796475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.796475 (E_RNA)
where:
Base-Base interactions energy: -134.931
where: short stacking energy: -56.711
Base-Backbone interact. energy: 0.382
local terms energy: -70.247659
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -18.324
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -10.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -188.928622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.928622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.928622 (E_RNA)
where:
Base-Base interactions energy: -115.964
where: short stacking energy: -73.096
Base-Backbone interact. energy: -0.002
local terms energy: -72.962602
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -16.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -171.818239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.818239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.818239 (E_RNA)
where:
Base-Base interactions energy: -109.572
where: short stacking energy: -51.870
Base-Backbone interact. energy: 0.305
local terms energy: -62.551306
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -9.922
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -10.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -201.638167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.638167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.638167 (E_RNA)
where:
Base-Base interactions energy: -135.635
where: short stacking energy: -59.759
Base-Backbone interact. energy: -0.006
local terms energy: -65.997105
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -11.515
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: 6, replica: 6
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -142.720738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.720738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.720738 (E_RNA)
where:
Base-Base interactions energy: -90.502
where: short stacking energy: -44.102
Base-Backbone interact. energy: -0.466
local terms energy: -51.753213
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -4.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -95.173436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.173436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.173436 (E_RNA)
where:
Base-Base interactions energy: -45.130
where: short stacking energy: -25.191
Base-Backbone interact. energy: -0.403
local terms energy: -49.640509
where:
bonds (distance) C4'-P energy: -8.108
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -2.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -79.658654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.658654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.658654 (E_RNA)
where:
Base-Base interactions energy: -32.668
where: short stacking energy: -32.668
Base-Backbone interact. energy: -0.299
local terms energy: -46.691003
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -7.152
flat angles P-C4'-P energy: -12.165
tors. eta vs tors. theta energy: -1.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -78.463775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.463775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.463775 (E_RNA)
where:
Base-Base interactions energy: -38.446
where: short stacking energy: -28.650
Base-Backbone interact. energy: -0.186
local terms energy: -39.832050
where:
bonds (distance) C4'-P energy: -4.218
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -5.851
tors. eta vs tors. theta energy: 0.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -87.369950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.369950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.369950 (E_RNA)
where:
Base-Base interactions energy: -34.266
where: short stacking energy: -34.266
Base-Backbone interact. energy: 0.473
local terms energy: -53.576951
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -11.415
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -4.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -231.322530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.322530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.322530 (E_RNA)
where:
Base-Base interactions energy: -150.126
where: short stacking energy: -75.359
Base-Backbone interact. energy: -0.012
local terms energy: -81.184959
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -13.567
tors. eta vs tors. theta energy: -22.185
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: 2
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -205.260575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.260575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.260575 (E_RNA)
where:
Base-Base interactions energy: -135.297
where: short stacking energy: -55.476
Base-Backbone interact. energy: -0.605
local terms energy: -69.358489
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -9.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -183.458468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.458468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.458468 (E_RNA)
where:
Base-Base interactions energy: -112.148
where: short stacking energy: -67.664
Base-Backbone interact. energy: -0.100
local terms energy: -71.210552
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -15.927
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: 9
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -171.122788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.122788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.122788 (E_RNA)
where:
Base-Base interactions energy: -93.466
where: short stacking energy: -61.280
Base-Backbone interact. energy: -0.005
local terms energy: -77.651704
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -15.618
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -13.841
tors. eta vs tors. theta energy: -19.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -207.452436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.452436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.452436 (E_RNA)
where:
Base-Base interactions energy: -136.188
where: short stacking energy: -60.878
Base-Backbone interact. energy: -0.295
local terms energy: -70.969014
where:
bonds (distance) C4'-P energy: -11.783
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -18.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -150.094666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.094666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.094666 (E_RNA)
where:
Base-Base interactions energy: -89.196
where: short stacking energy: -44.081
Base-Backbone interact. energy: -1.353
local terms energy: -59.545256
where:
bonds (distance) C4'-P energy: -13.711
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -6.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -95.676422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.676422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.676422 (E_RNA)
where:
Base-Base interactions energy: -38.647
where: short stacking energy: -29.209
Base-Backbone interact. energy: -0.701
local terms energy: -56.328180
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -10.169
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: 8, replica: 5
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -83.099098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.099098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.099098 (E_RNA)
where:
Base-Base interactions energy: -30.640
where: short stacking energy: -22.448
Base-Backbone interact. energy: -1.116
local terms energy: -51.343334
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -1.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -89.249265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.249265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.249265 (E_RNA)
where:
Base-Base interactions energy: -34.818
where: short stacking energy: -28.031
Base-Backbone interact. energy: -0.342
local terms energy: -54.088945
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -11.511
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -6.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -82.732299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.732299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.732299 (E_RNA)
where:
Base-Base interactions energy: -28.640
where: short stacking energy: -28.640
Base-Backbone interact. energy: -0.372
local terms energy: -53.720465
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -12.883
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -10.483
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: 7
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -231.745555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.745555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.745555 (E_RNA)
where:
Base-Base interactions energy: -148.439
where: short stacking energy: -71.093
Base-Backbone interact. energy: -2.253
local terms energy: -81.052916
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -21.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -200.011879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.011879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.011879 (E_RNA)
where:
Base-Base interactions energy: -136.164
where: short stacking energy: -43.851
Base-Backbone interact. energy: -0.117
local terms energy: -63.731412
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -12.600
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -13.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -191.164207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.164207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.164207 (E_RNA)
where:
Base-Base interactions energy: -129.020
where: short stacking energy: -57.730
Base-Backbone interact. energy: -0.258
local terms energy: -61.885760
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -8.437
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: 4, replica: 8
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -200.092709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.092709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.092709 (E_RNA)
where:
Base-Base interactions energy: -132.225
where: short stacking energy: -60.531
Base-Backbone interact. energy: -0.089
local terms energy: -67.779031
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -6.543
tors. eta vs tors. theta energy: -16.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -161.642592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.642592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.642592 (E_RNA)
where:
Base-Base interactions energy: -100.040
where: short stacking energy: -52.819
Base-Backbone interact. energy: -0.023
local terms energy: -61.579858
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -10.683
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -4.435
tors. eta vs tors. theta energy: -13.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -96.457313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.457313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.457313 (E_RNA)
where:
Base-Base interactions energy: -38.172
where: short stacking energy: -38.172
Base-Backbone interact. energy: -0.001
local terms energy: -58.283962
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -16.732
flat angles C4'-P-C4' energy: -6.499
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -8.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -95.157037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.157037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.157037 (E_RNA)
where:
Base-Base interactions energy: -51.943
where: short stacking energy: -32.881
Base-Backbone interact. energy: 0.893
local terms energy: -44.106852
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -10.815
flat angles C4'-P-C4' energy: -10.903
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: 1.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -90.165583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.165583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.165583 (E_RNA)
where:
Base-Base interactions energy: -31.156
where: short stacking energy: -31.156
Base-Backbone interact. energy: -0.241
local terms energy: -58.769208
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -11.209
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: 9, replica: 5
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -81.743959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.743959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.743959 (E_RNA)
where:
Base-Base interactions energy: -29.101
where: short stacking energy: -27.369
Base-Backbone interact. energy: -0.003
local terms energy: -52.640457
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -3.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -90.306401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.306401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.306401 (E_RNA)
where:
Base-Base interactions energy: -36.639
where: short stacking energy: -32.247
Base-Backbone interact. energy: 0.501
local terms energy: -54.168943
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -9.090
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -6.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -218.241238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.241238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.241238 (E_RNA)
where:
Base-Base interactions energy: -135.732
where: short stacking energy: -63.810
Base-Backbone interact. energy: -0.120
local terms energy: -82.389429
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -22.434
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: 28
Temperature: 0.950000
Total energy: -197.560695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.560695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.560695 (E_RNA)
where:
Base-Base interactions energy: -135.527
where: short stacking energy: -47.070
Base-Backbone interact. energy: 1.167
local terms energy: -63.200275
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -7.041
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: 8
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -215.941748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.941748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.941748 (E_RNA)
where:
Base-Base interactions energy: -145.442
where: short stacking energy: -72.784
Base-Backbone interact. energy: -0.000
local terms energy: -70.499171
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -9.450
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -21.051
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: 10
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -201.365553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.365553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.365553 (E_RNA)
where:
Base-Base interactions energy: -133.667
where: short stacking energy: -61.129
Base-Backbone interact. energy: -0.934
local terms energy: -66.764081
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -14.288
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -14.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -180.846143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.846143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.846143 (E_RNA)
where:
Base-Base interactions energy: -113.580
where: short stacking energy: -60.110
Base-Backbone interact. energy: -0.265
local terms energy: -67.001617
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -6.855
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: 6, replica: 1
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -94.163491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.163491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.163491 (E_RNA)
where:
Base-Base interactions energy: -36.086
where: short stacking energy: -36.086
Base-Backbone interact. energy: -0.115
local terms energy: -57.963060
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: -3.020
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: 28
Temperature: 1.200000
Total energy: -109.066238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.066238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.066238 (E_RNA)
where:
Base-Base interactions energy: -52.770
where: short stacking energy: -45.568
Base-Backbone interact. energy: -0.095
local terms energy: -56.201347
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -7.219
tors. eta vs tors. theta energy: -8.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -80.239124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.239124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.239124 (E_RNA)
where:
Base-Base interactions energy: -29.814
where: short stacking energy: -20.191
Base-Backbone interact. energy: -0.085
local terms energy: -50.340097
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -7.065
tors. eta vs tors. theta energy: -0.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -79.484583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.484583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.484583 (E_RNA)
where:
Base-Base interactions energy: -24.447
where: short stacking energy: -23.514
Base-Backbone interact. energy: -0.235
local terms energy: -54.802699
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -18.377
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -1.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -73.503539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.503539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.503539 (E_RNA)
where:
Base-Base interactions energy: -26.756
where: short stacking energy: -20.135
Base-Backbone interact. energy: -0.255
local terms energy: -46.492970
where:
bonds (distance) C4'-P energy: -8.757
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -2.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -214.908246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.908246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.908246 (E_RNA)
where:
Base-Base interactions energy: -141.198
where: short stacking energy: -59.047
Base-Backbone interact. energy: -0.809
local terms energy: -72.901787
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -17.711
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: 8
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -217.736499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.736499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.736499 (E_RNA)
where:
Base-Base interactions energy: -144.088
where: short stacking energy: -63.327
Base-Backbone interact. energy: -0.556
local terms energy: -73.092694
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -16.120
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -17.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -207.102164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.102164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.102164 (E_RNA)
where:
Base-Base interactions energy: -144.202
where: short stacking energy: -57.792
Base-Backbone interact. energy: -0.288
local terms energy: -62.611520
where:
bonds (distance) C4'-P energy: -8.277
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -9.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -181.056343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.056343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.056343 (E_RNA)
where:
Base-Base interactions energy: -111.407
where: short stacking energy: -55.807
Base-Backbone interact. energy: -0.221
local terms energy: -69.427938
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -11.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -178.303445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.303445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.303445 (E_RNA)
where:
Base-Base interactions energy: -109.385
where: short stacking energy: -57.578
Base-Backbone interact. energy: -0.136
local terms energy: -68.782683
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -12.052
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -18.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -112.943555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.943555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.943555 (E_RNA)
where:
Base-Base interactions energy: -48.652
where: short stacking energy: -47.411
Base-Backbone interact. energy: -0.007
local terms energy: -64.284297
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -11.738
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: 7, replica: 1
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -84.081326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.081326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.081326 (E_RNA)
where:
Base-Base interactions energy: -35.309
where: short stacking energy: -30.040
Base-Backbone interact. energy: -0.222
local terms energy: -48.550607
where:
bonds (distance) C4'-P energy: -8.916
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -10.140
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: 8, replica: 6
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -98.301041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.301041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.301041 (E_RNA)
where:
Base-Base interactions energy: -45.154
where: short stacking energy: -36.858
Base-Backbone interact. energy: -0.153
local terms energy: -52.993556
where:
bonds (distance) C4'-P energy: -8.539
bonds (distance) P-C4' energy: -10.073
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -10.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -78.862009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.862009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.862009 (E_RNA)
where:
Base-Base interactions energy: -30.402
where: short stacking energy: -25.540
Base-Backbone interact. energy: -0.189
local terms energy: -48.271184
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -11.814
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -4.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -96.238085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.238085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.238085 (E_RNA)
where:
Base-Base interactions energy: -44.707
where: short stacking energy: -26.178
Base-Backbone interact. energy: -1.965
local terms energy: -49.565896
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -9.866
flat angles P-C4'-P energy: -5.902
tors. eta vs tors. theta energy: -4.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -226.177169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.177169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.177169 (E_RNA)
where:
Base-Base interactions energy: -142.719
where: short stacking energy: -64.092
Base-Backbone interact. energy: -0.824
local terms energy: -82.634620
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -21.641
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: 2, replica: 7
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -214.773711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.773711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.773711 (E_RNA)
where:
Base-Base interactions energy: -144.154
where: short stacking energy: -76.070
Base-Backbone interact. energy: -0.084
local terms energy: -70.536334
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -18.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -195.437327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.437327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.437327 (E_RNA)
where:
Base-Base interactions energy: -122.155
where: short stacking energy: -67.671
Base-Backbone interact. energy: -0.010
local terms energy: -73.272755
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -19.807
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: 30
Temperature: 1.050000
Total energy: -199.207844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.207844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.207844 (E_RNA)
where:
Base-Base interactions energy: -135.802
where: short stacking energy: -55.384
Base-Backbone interact. energy: -1.198
local terms energy: -62.208446
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -9.246
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: 5, replica: 10
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -166.422342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.422342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.422342 (E_RNA)
where:
Base-Base interactions energy: -90.971
where: short stacking energy: -60.913
Base-Backbone interact. energy: -0.014
local terms energy: -75.437802
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -16.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -115.688547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.688547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.688547 (E_RNA)
where:
Base-Base interactions energy: -51.212
where: short stacking energy: -50.350
Base-Backbone interact. energy: -0.034
local terms energy: -64.442617
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -18.437
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -9.029
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: 1
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -96.013938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.013938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.013938 (E_RNA)
where:
Base-Base interactions energy: -45.518
where: short stacking energy: -44.254
Base-Backbone interact. energy: -0.037
local terms energy: -50.459207
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -10.503
flat angles P-C4'-P energy: -6.276
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: 8, replica: 6
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -102.890680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.890680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.890680 (E_RNA)
where:
Base-Base interactions energy: -50.084
where: short stacking energy: -27.484
Base-Backbone interact. energy: -1.243
local terms energy: -51.563280
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -4.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -83.415453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.415453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.415453 (E_RNA)
where:
Base-Base interactions energy: -32.851
where: short stacking energy: -32.851
Base-Backbone interact. energy: 0.098
local terms energy: -50.662038
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -9.219
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -2.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -84.696967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.696967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.696967 (E_RNA)
where:
Base-Base interactions energy: -33.910
where: short stacking energy: -31.848
Base-Backbone interact. energy: -0.474
local terms energy: -50.312479
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -4.238
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: 8
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -223.304256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.304256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.304256 (E_RNA)
where:
Base-Base interactions energy: -144.753
where: short stacking energy: -69.959
Base-Backbone interact. energy: 0.544
local terms energy: -79.095070
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -20.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -218.461479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.461479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.461479 (E_RNA)
where:
Base-Base interactions energy: -148.526
where: short stacking energy: -69.384
Base-Backbone interact. energy: -0.055
local terms energy: -69.880795
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -11.182
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -18.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -191.067268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.067268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.067268 (E_RNA)
where:
Base-Base interactions energy: -115.929
where: short stacking energy: -63.382
Base-Backbone interact. energy: -0.060
local terms energy: -75.079076
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -18.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -167.178902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.178902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.178902 (E_RNA)
where:
Base-Base interactions energy: -112.237
where: short stacking energy: -52.207
Base-Backbone interact. energy: -0.719
local terms energy: -54.222842
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: -11.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -207.961259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.961259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.961259 (E_RNA)
where:
Base-Base interactions energy: -131.195
where: short stacking energy: -57.079
Base-Backbone interact. energy: -0.244
local terms energy: -76.522498
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -5.210
tors. eta vs tors. theta energy: -21.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -95.020136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.020136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.020136 (E_RNA)
where:
Base-Base interactions energy: -36.215
where: short stacking energy: -36.215
Base-Backbone interact. energy: -0.007
local terms energy: -58.797550
where:
bonds (distance) C4'-P energy: -14.432
bonds (distance) P-C4' energy: -12.833
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -8.911
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: 3
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -89.853475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.853475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.853475 (E_RNA)
where:
Base-Base interactions energy: -33.413
where: short stacking energy: -33.413
Base-Backbone interact. energy: -0.154
local terms energy: -56.286523
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -13.953
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -5.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -84.044008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.044008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.044008 (E_RNA)
where:
Base-Base interactions energy: -34.030
where: short stacking energy: -34.030
Base-Backbone interact. energy: 0.355
local terms energy: -50.368473
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -2.729
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: 6
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -84.357694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.357694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.357694 (E_RNA)
where:
Base-Base interactions energy: -31.963
where: short stacking energy: -24.644
Base-Backbone interact. energy: -0.269
local terms energy: -52.125321
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -0.373
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: 31
Temperature: 1.350000
Total energy: -76.562547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.562547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.562547 (E_RNA)
where:
Base-Base interactions energy: -27.740
where: short stacking energy: -27.740
Base-Backbone interact. energy: -0.012
local terms energy: -48.810303
where:
bonds (distance) C4'-P energy: -9.838
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -1.581
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: 7
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -227.967326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.967326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.967326 (E_RNA)
where:
Base-Base interactions energy: -148.377
where: short stacking energy: -70.854
Base-Backbone interact. energy: -0.008
local terms energy: -79.582392
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -21.531
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: 8
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -221.871156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.871156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.871156 (E_RNA)
where:
Base-Base interactions energy: -144.442
where: short stacking energy: -67.455
Base-Backbone interact. energy: -0.654
local terms energy: -76.775430
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -19.955
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: 9
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -181.202148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.202148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.202148 (E_RNA)
where:
Base-Base interactions energy: -105.806
where: short stacking energy: -57.454
Base-Backbone interact. energy: -0.068
local terms energy: -75.328595
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -12.906
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: 4, replica: 10
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -168.819474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.819474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.819474 (E_RNA)
where:
Base-Base interactions energy: -109.503
where: short stacking energy: -49.350
Base-Backbone interact. energy: -0.149
local terms energy: -59.167314
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -7.409
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: 5, replica: 2
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -220.360866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.360866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.360866 (E_RNA)
where:
Base-Base interactions energy: -146.953
where: short stacking energy: -71.107
Base-Backbone interact. energy: -0.405
local terms energy: -73.002184
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -16.676
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: -18.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -107.945816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.945816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.945816 (E_RNA)
where:
Base-Base interactions energy: -49.188
where: short stacking energy: -49.188
Base-Backbone interact. energy: -0.218
local terms energy: -58.539572
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -10.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -92.361113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.361113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.361113 (E_RNA)
where:
Base-Base interactions energy: -40.817
where: short stacking energy: -34.552
Base-Backbone interact. energy: -1.113
local terms energy: -50.431067
where:
bonds (distance) C4'-P energy: -8.128
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: 0.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -88.593897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.593897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.593897 (E_RNA)
where:
Base-Base interactions energy: -37.445
where: short stacking energy: -37.417
Base-Backbone interact. energy: -0.293
local terms energy: -50.856626
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -1.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -82.933138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.933138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.933138 (E_RNA)
where:
Base-Base interactions energy: -26.003
where: short stacking energy: -26.003
Base-Backbone interact. energy: -0.046
local terms energy: -56.884372
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -17.080
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -5.713
tors. eta vs tors. theta energy: -4.355
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: 10, replica: 6
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -84.283014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.283014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.283014 (E_RNA)
where:
Base-Base interactions energy: -36.652
where: short stacking energy: -34.606
Base-Backbone interact. energy: -0.402
local terms energy: -47.229046
where:
bonds (distance) C4'-P energy: -7.966
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -11.223
flat angles P-C4'-P energy: -5.551
tors. eta vs tors. theta energy: -7.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -224.380004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.380004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.380004 (E_RNA)
where:
Base-Base interactions energy: -143.930
where: short stacking energy: -70.456
Base-Backbone interact. energy: -0.019
local terms energy: -80.431102
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -17.931
flat angles C4'-P-C4' energy: -17.318
flat angles P-C4'-P energy: -13.784
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: 2, replica: 8
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -220.590114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.590114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.590114 (E_RNA)
where:
Base-Base interactions energy: -144.631
where: short stacking energy: -64.090
Base-Backbone interact. energy: -0.011
local terms energy: -75.948674
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -17.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -194.407903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.407903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.407903 (E_RNA)
where:
Base-Base interactions energy: -121.595
where: short stacking energy: -61.452
Base-Backbone interact. energy: 0.525
local terms energy: -73.338312
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -18.007
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -17.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -214.369292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.369292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.369292 (E_RNA)
where:
Base-Base interactions energy: -146.188
where: short stacking energy: -68.885
Base-Backbone interact. energy: -0.012
local terms energy: -68.168606
where:
bonds (distance) C4'-P energy: -9.511
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -20.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -149.712170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.712170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.712170 (E_RNA)
where:
Base-Base interactions energy: -89.759
where: short stacking energy: -42.762
Base-Backbone interact. energy: 0.307
local terms energy: -60.260624
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -8.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -94.371752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.371752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.371752 (E_RNA)
where:
Base-Base interactions energy: -38.278
where: short stacking energy: -38.278
Base-Backbone interact. energy: -0.026
local terms energy: -56.067239
where:
bonds (distance) C4'-P energy: -10.398
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -8.078
tors. eta vs tors. theta energy: -6.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -90.864461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.864461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.864461 (E_RNA)
where:
Base-Base interactions energy: -40.959
where: short stacking energy: -35.426
Base-Backbone interact. energy: -0.272
local terms energy: -49.633279
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -10.964
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: -7.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -80.836041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.836041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.836041 (E_RNA)
where:
Base-Base interactions energy: -31.061
where: short stacking energy: -31.061
Base-Backbone interact. energy: -0.079
local terms energy: -49.696432
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -7.373
flat angles P-C4'-P energy: -12.371
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: 9, replica: 3
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -76.909050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.909050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.909050 (E_RNA)
where:
Base-Base interactions energy: -30.759
where: short stacking energy: -25.399
Base-Backbone interact. energy: -0.499
local terms energy: -45.651002
where:
bonds (distance) C4'-P energy: -9.933
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -11.387
flat angles P-C4'-P energy: -3.599
tors. eta vs tors. theta energy: -5.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -76.648633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.648633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.648633 (E_RNA)
where:
Base-Base interactions energy: -35.768
where: short stacking energy: -24.233
Base-Backbone interact. energy: -0.068
local terms energy: -40.812549
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -5.818
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: 3.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -220.935338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.935338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.935338 (E_RNA)
where:
Base-Base interactions energy: -145.120
where: short stacking energy: -72.402
Base-Backbone interact. energy: -0.374
local terms energy: -75.441707
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -20.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -208.100188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.100188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.100188 (E_RNA)
where:
Base-Base interactions energy: -138.804
where: short stacking energy: -62.961
Base-Backbone interact. energy: -0.054
local terms energy: -69.242433
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -17.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -222.159151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.159151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.159151 (E_RNA)
where:
Base-Base interactions energy: -143.350
where: short stacking energy: -72.626
Base-Backbone interact. energy: -0.151
local terms energy: -78.658320
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -12.626
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: 4, replica: 9
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -182.039495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.039495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.039495 (E_RNA)
where:
Base-Base interactions energy: -111.262
where: short stacking energy: -56.670
Base-Backbone interact. energy: -0.342
local terms energy: -70.435690
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -9.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -141.979040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.979040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.979040 (E_RNA)
where:
Base-Base interactions energy: -90.968
where: short stacking energy: -30.254
Base-Backbone interact. energy: -0.352
local terms energy: -50.658566
where:
bonds (distance) C4'-P energy: -13.099
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -10.170
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -4.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -100.135387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.135387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.135387 (E_RNA)
where:
Base-Base interactions energy: -49.761
where: short stacking energy: -32.688
Base-Backbone interact. energy: 1.607
local terms energy: -51.982210
where:
bonds (distance) C4'-P energy: -8.724
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -4.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -97.496819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.496819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.496819 (E_RNA)
where:
Base-Base interactions energy: -41.791
where: short stacking energy: -39.038
Base-Backbone interact. energy: -0.177
local terms energy: -55.529248
where:
bonds (distance) C4'-P energy: -9.304
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -10.224
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -7.402
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: 5
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -88.760367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.760367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.760367 (E_RNA)
where:
Base-Base interactions energy: -36.674
where: short stacking energy: -36.674
Base-Backbone interact. energy: -0.184
local terms energy: -51.901770
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -4.193
tors. eta vs tors. theta energy: -5.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -90.765436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.765436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.765436 (E_RNA)
where:
Base-Base interactions energy: -38.427
where: short stacking energy: -38.182
Base-Backbone interact. energy: -0.178
local terms energy: -52.160120
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -5.204
tors. eta vs tors. theta energy: -4.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -67.806707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.806707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.806707 (E_RNA)
where:
Base-Base interactions energy: -27.506
where: short stacking energy: -27.080
Base-Backbone interact. energy: -0.236
local terms energy: -40.064652
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -4.389
tors. eta vs tors. theta energy: 0.121
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: 1, replica: 8
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -223.052676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.052676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.052676 (E_RNA)
where:
Base-Base interactions energy: -150.366
where: short stacking energy: -75.530
Base-Backbone interact. energy: -0.138
local terms energy: -72.548461
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -22.395
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: 35
Temperature: 0.950000
Total energy: -218.332000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.332000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.332000 (E_RNA)
where:
Base-Base interactions energy: -139.797
where: short stacking energy: -69.370
Base-Backbone interact. energy: -0.016
local terms energy: -78.519003
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -20.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -217.132192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.132192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.132192 (E_RNA)
where:
Base-Base interactions energy: -141.596
where: short stacking energy: -62.890
Base-Backbone interact. energy: -0.095
local terms energy: -75.441388
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -20.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -184.044351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.044351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.044351 (E_RNA)
where:
Base-Base interactions energy: -117.968
where: short stacking energy: -50.001
Base-Backbone interact. energy: -0.218
local terms energy: -65.858750
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -8.064
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: 10
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -163.199676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.199676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.199676 (E_RNA)
where:
Base-Base interactions energy: -98.300
where: short stacking energy: -44.924
Base-Backbone interact. energy: -0.444
local terms energy: -64.455690
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -8.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -100.097885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.097885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.097885 (E_RNA)
where:
Base-Base interactions energy: -39.121
where: short stacking energy: -38.839
Base-Backbone interact. energy: -0.000
local terms energy: -60.976509
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -9.881
flat angles P-C4'-P energy: -13.151
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: 7, replica: 4
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -115.457963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.457963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.457963 (E_RNA)
where:
Base-Base interactions energy: -53.763
where: short stacking energy: -37.075
Base-Backbone interact. energy: -0.197
local terms energy: -61.498195
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -5.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -113.344358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.344358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.344358 (E_RNA)
where:
Base-Base interactions energy: -52.884
where: short stacking energy: -42.444
Base-Backbone interact. energy: -0.675
local terms energy: -59.785095
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -8.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -91.247537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.247537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.247537 (E_RNA)
where:
Base-Base interactions energy: -37.690
where: short stacking energy: -30.052
Base-Backbone interact. energy: 0.833
local terms energy: -54.389836
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -11.865
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -4.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -85.048925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.048925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.048925 (E_RNA)
where:
Base-Base interactions energy: -46.864
where: short stacking energy: -26.776
Base-Backbone interact. energy: -0.294
local terms energy: -37.891292
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -4.839
flat angles P-C4'-P energy: -0.732
tors. eta vs tors. theta energy: -3.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -225.462261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.462261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.462261 (E_RNA)
where:
Base-Base interactions energy: -153.098
where: short stacking energy: -74.310
Base-Backbone interact. energy: -0.044
local terms energy: -72.321057
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -19.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -226.783584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.783584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.783584 (E_RNA)
where:
Base-Base interactions energy: -152.624
where: short stacking energy: -63.244
Base-Backbone interact. energy: -0.097
local terms energy: -74.061943
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -19.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -216.072628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.072628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.072628 (E_RNA)
where:
Base-Base interactions energy: -146.397
where: short stacking energy: -57.297
Base-Backbone interact. energy: -1.126
local terms energy: -68.549519
where:
bonds (distance) C4'-P energy: -8.993
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -19.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -165.370879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.370879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.370879 (E_RNA)
where:
Base-Base interactions energy: -103.271
where: short stacking energy: -56.568
Base-Backbone interact. energy: -0.099
local terms energy: -62.000805
where:
bonds (distance) C4'-P energy: -10.050
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -8.653
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: 5, replica: 10
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -154.191894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.191894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.191894 (E_RNA)
where:
Base-Base interactions energy: -88.274
where: short stacking energy: -49.315
Base-Backbone interact. energy: -1.454
local terms energy: -64.462948
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: -9.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -101.331555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.331555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.331555 (E_RNA)
where:
Base-Base interactions energy: -43.041
where: short stacking energy: -40.291
Base-Backbone interact. energy: -0.066
local terms energy: -58.224180
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -6.659
tors. eta vs tors. theta energy: -8.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -107.726913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.726913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.726913 (E_RNA)
where:
Base-Base interactions energy: -52.204
where: short stacking energy: -31.442
Base-Backbone interact. energy: -0.310
local terms energy: -55.212745
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -10.397
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -4.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -83.438998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.438998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.438998 (E_RNA)
where:
Base-Base interactions energy: -31.761
where: short stacking energy: -29.907
Base-Backbone interact. energy: 0.411
local terms energy: -52.089014
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -9.353
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: 9, replica: 5
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -97.394503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.394503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.394503 (E_RNA)
where:
Base-Base interactions energy: -35.976
where: short stacking energy: -34.738
Base-Backbone interact. energy: -0.141
local terms energy: -61.277636
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -9.928
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: 10, replica: 3
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -78.770075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.770075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.770075 (E_RNA)
where:
Base-Base interactions energy: -37.601
where: short stacking energy: -37.377
Base-Backbone interact. energy: -0.811
local terms energy: -40.358395
where:
bonds (distance) C4'-P energy: -10.738
bonds (distance) P-C4' energy: -7.004
flat angles C4'-P-C4' energy: -9.051
flat angles P-C4'-P energy: -6.973
tors. eta vs tors. theta energy: -6.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -233.249009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.249009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.249009 (E_RNA)
where:
Base-Base interactions energy: -153.009
where: short stacking energy: -68.413
Base-Backbone interact. energy: -0.000
local terms energy: -80.239854
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -21.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -219.804994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.804994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.804994 (E_RNA)
where:
Base-Base interactions energy: -144.698
where: short stacking energy: -67.755
Base-Backbone interact. energy: -0.302
local terms energy: -74.804858
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -19.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -213.538023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.538023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.538023 (E_RNA)
where:
Base-Base interactions energy: -143.854
where: short stacking energy: -66.194
Base-Backbone interact. energy: -0.302
local terms energy: -69.381281
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -18.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -181.883810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.883810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.883810 (E_RNA)
where:
Base-Base interactions energy: -112.758
where: short stacking energy: -51.231
Base-Backbone interact. energy: -0.246
local terms energy: -68.879530
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -12.902
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: 37
Temperature: 1.100000
Total energy: -161.187848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.187848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.187848 (E_RNA)
where:
Base-Base interactions energy: -96.692
where: short stacking energy: -46.815
Base-Backbone interact. energy: -0.850
local terms energy: -63.645896
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -9.825
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: 6, replica: 4
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -92.963390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.963390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.963390 (E_RNA)
where:
Base-Base interactions energy: -37.687
where: short stacking energy: -32.214
Base-Backbone interact. energy: -0.097
local terms energy: -55.179378
where:
bonds (distance) C4'-P energy: -12.060
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -6.298
tors. eta vs tors. theta energy: -6.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -101.091121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.091121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.091121 (E_RNA)
where:
Base-Base interactions energy: -45.790
where: short stacking energy: -45.790
Base-Backbone interact. energy: -0.161
local terms energy: -55.140219
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -14.584
flat angles C4'-P-C4' energy: -10.789
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -7.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -93.364499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.364499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.364499 (E_RNA)
where:
Base-Base interactions energy: -37.658
where: short stacking energy: -28.730
Base-Backbone interact. energy: -0.853
local terms energy: -54.853368
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -5.309
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: 5
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -80.786428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.786428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.786428 (E_RNA)
where:
Base-Base interactions energy: -32.647
where: short stacking energy: -31.848
Base-Backbone interact. energy: -0.084
local terms energy: -48.055478
where:
bonds (distance) C4'-P energy: -10.779
bonds (distance) P-C4' energy: -12.484
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -4.241
tors. eta vs tors. theta energy: -6.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -69.524518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.524518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.524518 (E_RNA)
where:
Base-Base interactions energy: -20.940
where: short stacking energy: -20.923
Base-Backbone interact. energy: 0.216
local terms energy: -48.801044
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -11.280
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -0.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -228.561570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.561570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.561570 (E_RNA)
where:
Base-Base interactions energy: -147.979
where: short stacking energy: -71.477
Base-Backbone interact. energy: -0.089
local terms energy: -80.493379
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -20.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -220.494989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.494989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.494989 (E_RNA)
where:
Base-Base interactions energy: -142.290
where: short stacking energy: -72.322
Base-Backbone interact. energy: 1.432
local terms energy: -79.636505
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -20.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -192.639340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.639340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.639340 (E_RNA)
where:
Base-Base interactions energy: -130.050
where: short stacking energy: -53.684
Base-Backbone interact. energy: -0.159
local terms energy: -62.430675
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -10.218
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: 8
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -212.595898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.595898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.595898 (E_RNA)
where:
Base-Base interactions energy: -144.618
where: short stacking energy: -68.141
Base-Backbone interact. energy: -0.005
local terms energy: -67.972967
where:
bonds (distance) C4'-P energy: -10.158
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -20.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -165.136177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.136177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.136177 (E_RNA)
where:
Base-Base interactions energy: -107.309
where: short stacking energy: -58.056
Base-Backbone interact. energy: -0.024
local terms energy: -57.803160
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -10.894
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -12.007
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: 4
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -93.480343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.480343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.480343 (E_RNA)
where:
Base-Base interactions energy: -35.095
where: short stacking energy: -35.095
Base-Backbone interact. energy: -0.180
local terms energy: -58.205552
where:
bonds (distance) C4'-P energy: -8.898
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -8.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -109.941423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.941423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.941423 (E_RNA)
where:
Base-Base interactions energy: -53.912
where: short stacking energy: -35.580
Base-Backbone interact. energy: -0.247
local terms energy: -55.783138
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -5.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -90.662151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.662151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.662151 (E_RNA)
where:
Base-Base interactions energy: -33.783
where: short stacking energy: -24.091
Base-Backbone interact. energy: -1.567
local terms energy: -55.312868
where:
bonds (distance) C4'-P energy: -9.177
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -5.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -86.932904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.932904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.932904 (E_RNA)
where:
Base-Base interactions energy: -38.698
where: short stacking energy: -27.528
Base-Backbone interact. energy: -0.096
local terms energy: -48.138428
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -9.002
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -3.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -81.084004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.084004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.084004 (E_RNA)
where:
Base-Base interactions energy: -31.953
where: short stacking energy: -24.608
Base-Backbone interact. energy: -0.094
local terms energy: -49.036989
where:
bonds (distance) C4'-P energy: -7.502
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -6.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -226.319248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.319248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.319248 (E_RNA)
where:
Base-Base interactions energy: -148.371
where: short stacking energy: -73.049
Base-Backbone interact. energy: -0.122
local terms energy: -77.825879
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -18.437
flat angles P-C4'-P energy: -6.691
tors. eta vs tors. theta energy: -23.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -219.362015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.362015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.362015 (E_RNA)
where:
Base-Base interactions energy: -145.198
where: short stacking energy: -67.886
Base-Backbone interact. energy: -0.007
local terms energy: -74.157038
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -19.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -181.769551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.769551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.769551 (E_RNA)
where:
Base-Base interactions energy: -108.381
where: short stacking energy: -50.965
Base-Backbone interact. energy: 0.033
local terms energy: -73.421378
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -15.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -212.750412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.750412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.750412 (E_RNA)
where:
Base-Base interactions energy: -145.429
where: short stacking energy: -59.229
Base-Backbone interact. energy: 0.623
local terms energy: -67.944964
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -10.969
flat angles P-C4'-P energy: -11.714
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: 5, replica: 9
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -168.987201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.987201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.987201 (E_RNA)
where:
Base-Base interactions energy: -111.060
where: short stacking energy: -57.261
Base-Backbone interact. energy: -0.095
local terms energy: -57.832138
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -10.399
flat angles P-C4'-P energy: -5.280
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: 6, replica: 6
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -116.501633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.501633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.501633 (E_RNA)
where:
Base-Base interactions energy: -59.021
where: short stacking energy: -40.270
Base-Backbone interact. energy: 2.728
local terms energy: -60.208379
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -8.171
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -12.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -88.447275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.447275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.447275 (E_RNA)
where:
Base-Base interactions energy: -36.995
where: short stacking energy: -36.995
Base-Backbone interact. energy: -0.318
local terms energy: -51.135032
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -6.113
tors. eta vs tors. theta energy: -6.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -81.993786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.993786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.993786 (E_RNA)
where:
Base-Base interactions energy: -29.562
where: short stacking energy: -29.314
Base-Backbone interact. energy: -0.625
local terms energy: -51.806594
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -8.133
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -3.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -81.878301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.878301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.878301 (E_RNA)
where:
Base-Base interactions energy: -34.429
where: short stacking energy: -31.740
Base-Backbone interact. energy: -0.720
local terms energy: -46.729875
where:
bonds (distance) C4'-P energy: -8.129
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -8.856
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -7.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -71.335696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.335696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.335696 (E_RNA)
where:
Base-Base interactions energy: -24.402
where: short stacking energy: -24.402
Base-Backbone interact. energy: -0.817
local terms energy: -46.117051
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -7.003
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: 1.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -216.100096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.100096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.100096 (E_RNA)
where:
Base-Base interactions energy: -142.429
where: short stacking energy: -59.961
Base-Backbone interact. energy: -0.047
local terms energy: -73.624826
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -20.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -217.394793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.394793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.394793 (E_RNA)
where:
Base-Base interactions energy: -143.433
where: short stacking energy: -65.800
Base-Backbone interact. energy: -0.025
local terms energy: -73.937043
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -11.742
flat angles C4'-P-C4' energy: -18.666
flat angles P-C4'-P energy: -6.867
tors. eta vs tors. theta energy: -19.966
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: 8
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -217.886340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.886340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.886340 (E_RNA)
where:
Base-Base interactions energy: -139.398
where: short stacking energy: -66.722
Base-Backbone interact. energy: -1.066
local terms energy: -77.421932
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -17.841
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -19.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -182.537997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.537997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.537997 (E_RNA)
where:
Base-Base interactions energy: -110.830
where: short stacking energy: -61.833
Base-Backbone interact. energy: -0.064
local terms energy: -71.644405
where:
bonds (distance) C4'-P energy: -12.030
bonds (distance) P-C4' energy: -18.063
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -16.973
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: 5, replica: 9
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -170.908002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.908002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.908002 (E_RNA)
where:
Base-Base interactions energy: -107.050
where: short stacking energy: -64.061
Base-Backbone interact. energy: -0.004
local terms energy: -63.853968
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -9.538
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -8.723
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: 6, replica: 6
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -105.953775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.953775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.953775 (E_RNA)
where:
Base-Base interactions energy: -49.078
where: short stacking energy: -35.583
Base-Backbone interact. energy: -0.527
local terms energy: -56.348516
where:
bonds (distance) C4'-P energy: -10.273
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -5.107
tors. eta vs tors. theta energy: -10.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -92.835590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.835590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.835590 (E_RNA)
where:
Base-Base interactions energy: -37.154
where: short stacking energy: -25.508
Base-Backbone interact. energy: -0.328
local terms energy: -55.353842
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -13.777
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -4.880
tors. eta vs tors. theta energy: -8.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -78.197021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.197021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.197021 (E_RNA)
where:
Base-Base interactions energy: -31.145
where: short stacking energy: -26.656
Base-Backbone interact. energy: -0.182
local terms energy: -46.869534
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -9.864
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: 0.399
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: 3
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -90.368827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.368827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.368827 (E_RNA)
where:
Base-Base interactions energy: -31.414
where: short stacking energy: -28.086
Base-Backbone interact. energy: -0.030
local terms energy: -58.925035
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -13.232
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -8.481
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: 10, replica: 1
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -81.600532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.600532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.600532 (E_RNA)
where:
Base-Base interactions energy: -28.178
where: short stacking energy: -28.178
Base-Backbone interact. energy: -0.259
local terms energy: -53.163448
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -4.580
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: 2
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -221.409920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.409920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.409920 (E_RNA)
where:
Base-Base interactions energy: -146.899
where: short stacking energy: -69.486
Base-Backbone interact. energy: -0.016
local terms energy: -74.494781
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -12.428
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -22.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -221.573975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.573975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.573975 (E_RNA)
where:
Base-Base interactions energy: -140.242
where: short stacking energy: -70.622
Base-Backbone interact. energy: -0.715
local terms energy: -80.616223
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -20.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -221.011069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.011069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.011069 (E_RNA)
where:
Base-Base interactions energy: -149.661
where: short stacking energy: -59.852
Base-Backbone interact. energy: -0.035
local terms energy: -71.315738
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -8.431
tors. eta vs tors. theta energy: -17.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -201.524018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.524018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.524018 (E_RNA)
where:
Base-Base interactions energy: -122.419
where: short stacking energy: -69.881
Base-Backbone interact. energy: -0.738
local terms energy: -78.366334
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -21.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -165.463456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.463456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.463456 (E_RNA)
where:
Base-Base interactions energy: -105.147
where: short stacking energy: -54.176
Base-Backbone interact. energy: -0.879
local terms energy: -59.438283
where:
bonds (distance) C4'-P energy: -8.848
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -7.848
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -13.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -108.999883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.999883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.999883 (E_RNA)
where:
Base-Base interactions energy: -58.608
where: short stacking energy: -29.612
Base-Backbone interact. energy: -0.572
local terms energy: -49.819595
where:
bonds (distance) C4'-P energy: -18.334
bonds (distance) P-C4' energy: -9.234
flat angles C4'-P-C4' energy: -10.460
flat angles P-C4'-P energy: -5.679
tors. eta vs tors. theta energy: -6.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -90.517574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.517574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.517574 (E_RNA)
where:
Base-Base interactions energy: -39.502
where: short stacking energy: -33.265
Base-Backbone interact. energy: -0.247
local terms energy: -50.768040
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -8.911
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -89.641854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.641854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.641854 (E_RNA)
where:
Base-Base interactions energy: -35.655
where: short stacking energy: -35.655
Base-Backbone interact. energy: -0.013
local terms energy: -53.973868
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -18.947
flat angles C4'-P-C4' energy: -10.846
flat angles P-C4'-P energy: -0.979
tors. eta vs tors. theta energy: -8.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -73.398833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.398833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.398833 (E_RNA)
where:
Base-Base interactions energy: -26.095
where: short stacking energy: -19.374
Base-Backbone interact. energy: -0.077
local terms energy: -47.226734
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -8.947
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: 1
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -78.488032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.488032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.488032 (E_RNA)
where:
Base-Base interactions energy: -23.730
where: short stacking energy: -23.730
Base-Backbone interact. energy: -0.092
local terms energy: -54.666243
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -8.749
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -3.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -220.229579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.229579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.229579 (E_RNA)
where:
Base-Base interactions energy: -151.659
where: short stacking energy: -54.065
Base-Backbone interact. energy: -0.791
local terms energy: -67.780123
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -12.214
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: 2, replica: 2
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -224.161062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.161062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.161062 (E_RNA)
where:
Base-Base interactions energy: -151.344
where: short stacking energy: -66.012
Base-Backbone interact. energy: -0.925
local terms energy: -71.892595
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -12.340
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -21.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -216.500968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.500968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.500968 (E_RNA)
where:
Base-Base interactions energy: -140.158
where: short stacking energy: -71.324
Base-Backbone interact. energy: -0.617
local terms energy: -75.726136
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -20.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -169.693375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.693375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.693375 (E_RNA)
where:
Base-Base interactions energy: -106.206
where: short stacking energy: -57.285
Base-Backbone interact. energy: -0.083
local terms energy: -63.404772
where:
bonds (distance) C4'-P energy: -10.103
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -11.223
tors. eta vs tors. theta energy: -12.077
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: 9
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -169.674443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.674443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.674443 (E_RNA)
where:
Base-Base interactions energy: -104.933
where: short stacking energy: -58.961
Base-Backbone interact. energy: -0.064
local terms energy: -64.677203
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -13.471
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: 6
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -93.765316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.765316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.765316 (E_RNA)
where:
Base-Base interactions energy: -39.716
where: short stacking energy: -38.571
Base-Backbone interact. energy: -0.147
local terms energy: -53.901402
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -2.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -108.303164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.303164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.303164 (E_RNA)
where:
Base-Base interactions energy: -43.275
where: short stacking energy: -42.275
Base-Backbone interact. energy: -0.471
local terms energy: -64.557168
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -13.572
tors. eta vs tors. theta energy: -12.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -84.143940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.143940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.143940 (E_RNA)
where:
Base-Base interactions energy: -35.935
where: short stacking energy: -35.090
Base-Backbone interact. energy: -0.191
local terms energy: -48.018561
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -8.013
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -3.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -81.886861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.886861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.886861 (E_RNA)
where:
Base-Base interactions energy: -26.454
where: short stacking energy: -26.454
Base-Backbone interact. energy: -0.073
local terms energy: -55.359692
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -10.653
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -2.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -90.237872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.237872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.237872 (E_RNA)
where:
Base-Base interactions energy: -38.950
where: short stacking energy: -37.926
Base-Backbone interact. energy: -0.817
local terms energy: -50.471209
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -10.285
flat angles P-C4'-P energy: -3.182
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: 1, replica: 8
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -210.837820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.837820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.837820 (E_RNA)
where:
Base-Base interactions energy: -141.827
where: short stacking energy: -51.988
Base-Backbone interact. energy: -0.628
local terms energy: -68.382644
where:
bonds (distance) C4'-P energy: -13.711
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -13.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -215.169095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.169095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.169095 (E_RNA)
where:
Base-Base interactions energy: -146.087
where: short stacking energy: -55.656
Base-Backbone interact. energy: -0.406
local terms energy: -68.675964
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -7.118
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: 3, replica: 7
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -204.748306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.748306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.748306 (E_RNA)
where:
Base-Base interactions energy: -139.949
where: short stacking energy: -53.744
Base-Backbone interact. energy: -0.605
local terms energy: -64.194212
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -11.830
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -15.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -189.958603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.958603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.958603 (E_RNA)
where:
Base-Base interactions energy: -115.207
where: short stacking energy: -68.724
Base-Backbone interact. energy: -0.172
local terms energy: -74.579360
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -20.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -177.503255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.503255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.503255 (E_RNA)
where:
Base-Base interactions energy: -108.694
where: short stacking energy: -62.954
Base-Backbone interact. energy: 0.064
local terms energy: -68.872541
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -12.013
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -16.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -100.794922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.794922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.794922 (E_RNA)
where:
Base-Base interactions energy: -58.636
where: short stacking energy: -38.611
Base-Backbone interact. energy: -0.342
local terms energy: -41.816629
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -6.623
flat angles P-C4'-P energy: -6.846
tors. eta vs tors. theta energy: -4.692
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: 6
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -85.654099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.654099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.654099 (E_RNA)
where:
Base-Base interactions energy: -33.029
where: short stacking energy: -26.873
Base-Backbone interact. energy: -0.791
local terms energy: -51.833404
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -6.725
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -5.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -88.058738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.058738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.058738 (E_RNA)
where:
Base-Base interactions energy: -35.949
where: short stacking energy: -34.206
Base-Backbone interact. energy: -0.416
local terms energy: -51.694186
where:
bonds (distance) C4'-P energy: -9.773
bonds (distance) P-C4' energy: -11.899
flat angles C4'-P-C4' energy: -10.192
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -10.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -107.092133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.092133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.092133 (E_RNA)
where:
Base-Base interactions energy: -51.940
where: short stacking energy: -34.285
Base-Backbone interact. energy: -0.285
local terms energy: -54.867585
where:
bonds (distance) C4'-P energy: -10.559
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -10.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -74.366677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.366677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.366677 (E_RNA)
where:
Base-Base interactions energy: -25.870
where: short stacking energy: -25.870
Base-Backbone interact. energy: -0.176
local terms energy: -48.320573
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -8.094
flat angles C4'-P-C4' energy: -10.662
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -1.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -216.368816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.368816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.368816 (E_RNA)
where:
Base-Base interactions energy: -142.291
where: short stacking energy: -65.317
Base-Backbone interact. energy: -0.017
local terms energy: -74.060735
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -18.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -207.123446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.123446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.123446 (E_RNA)
where:
Base-Base interactions energy: -141.287
where: short stacking energy: -52.373
Base-Backbone interact. energy: 0.335
local terms energy: -66.170588
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -9.582
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: 3, replica: 9
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -198.781138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.781138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.781138 (E_RNA)
where:
Base-Base interactions energy: -131.702
where: short stacking energy: -46.567
Base-Backbone interact. energy: -0.366
local terms energy: -66.712332
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -15.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -198.110913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.110913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.110913 (E_RNA)
where:
Base-Base interactions energy: -134.660
where: short stacking energy: -59.398
Base-Backbone interact. energy: -0.016
local terms energy: -63.434519
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -6.765
tors. eta vs tors. theta energy: -18.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -178.891634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.891634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.891634 (E_RNA)
where:
Base-Base interactions energy: -113.733
where: short stacking energy: -62.082
Base-Backbone interact. energy: -0.170
local terms energy: -64.988455
where:
bonds (distance) C4'-P energy: -7.508
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -18.068
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: 44
Temperature: 1.150000
Total energy: -105.450515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.450515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.450515 (E_RNA)
where:
Base-Base interactions energy: -46.279
where: short stacking energy: -36.474
Base-Backbone interact. energy: -0.177
local terms energy: -58.994273
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -18.836
flat angles C4'-P-C4' energy: -9.987
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -7.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -90.036852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.036852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.036852 (E_RNA)
where:
Base-Base interactions energy: -34.047
where: short stacking energy: -31.467
Base-Backbone interact. energy: -0.149
local terms energy: -55.840979
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -4.424
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: 8, replica: 6
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -101.031952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.031952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.031952 (E_RNA)
where:
Base-Base interactions energy: -42.928
where: short stacking energy: -36.684
Base-Backbone interact. energy: -0.094
local terms energy: -58.009800
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -6.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -105.371609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.371609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.371609 (E_RNA)
where:
Base-Base interactions energy: -59.046
where: short stacking energy: -39.938
Base-Backbone interact. energy: -0.695
local terms energy: -45.630697
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -8.976
flat angles C4'-P-C4' energy: -9.106
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -6.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -80.891579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.891579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.891579 (E_RNA)
where:
Base-Base interactions energy: -30.957
where: short stacking energy: -30.957
Base-Backbone interact. energy: -0.805
local terms energy: -49.129260
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -4.555
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -2.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -221.224323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.224323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.224323 (E_RNA)
where:
Base-Base interactions energy: -145.195
where: short stacking energy: -56.247
Base-Backbone interact. energy: -0.307
local terms energy: -75.721614
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -11.438
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: 8
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -204.182949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.182949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.182949 (E_RNA)
where:
Base-Base interactions energy: -132.676
where: short stacking energy: -50.842
Base-Backbone interact. energy: -1.727
local terms energy: -69.779420
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -10.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -198.881562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.881562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.881562 (E_RNA)
where:
Base-Base interactions energy: -127.338
where: short stacking energy: -57.427
Base-Backbone interact. energy: -0.129
local terms energy: -71.414654
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -13.162
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: 4, replica: 7
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -216.400418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.400418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.400418 (E_RNA)
where:
Base-Base interactions energy: -142.308
where: short stacking energy: -71.985
Base-Backbone interact. energy: -0.003
local terms energy: -74.089357
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -18.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -160.298937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.298937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.298937 (E_RNA)
where:
Base-Base interactions energy: -94.655
where: short stacking energy: -55.729
Base-Backbone interact. energy: -0.061
local terms energy: -65.582975
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -12.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -96.930632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.930632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.930632 (E_RNA)
where:
Base-Base interactions energy: -39.393
where: short stacking energy: -35.039
Base-Backbone interact. energy: -1.721
local terms energy: -55.815978
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -11.543
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -6.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -113.262777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.262777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.262777 (E_RNA)
where:
Base-Base interactions energy: -67.225
where: short stacking energy: -28.507
Base-Backbone interact. energy: 0.522
local terms energy: -46.560108
where:
bonds (distance) C4'-P energy: -10.481
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -11.148
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -5.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -93.858453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.858453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.858453 (E_RNA)
where:
Base-Base interactions energy: -38.274
where: short stacking energy: -33.194
Base-Backbone interact. energy: -0.987
local terms energy: -54.597310
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -5.385
tors. eta vs tors. theta energy: -2.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -79.828806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.828806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.828806 (E_RNA)
where:
Base-Base interactions energy: -34.344
where: short stacking energy: -30.478
Base-Backbone interact. energy: 0.158
local terms energy: -45.642669
where:
bonds (distance) C4'-P energy: -9.492
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -7.303
tors. eta vs tors. theta energy: -1.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -75.868121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.868121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.868121 (E_RNA)
where:
Base-Base interactions energy: -24.161
where: short stacking energy: -20.904
Base-Backbone interact. energy: 1.932
local terms energy: -53.639354
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -5.912
tors. eta vs tors. theta energy: -4.759
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: 1, replica: 8
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -208.427260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.427260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.427260 (E_RNA)
where:
Base-Base interactions energy: -143.051
where: short stacking energy: -44.287
Base-Backbone interact. energy: 0.057
local terms energy: -65.433543
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -8.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -221.103372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.103372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.103372 (E_RNA)
where:
Base-Base interactions energy: -143.570
where: short stacking energy: -68.048
Base-Backbone interact. energy: -0.010
local terms energy: -77.524140
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -12.242
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -22.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -211.881602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.881602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.881602 (E_RNA)
where:
Base-Base interactions energy: -141.291
where: short stacking energy: -69.966
Base-Backbone interact. energy: 0.239
local terms energy: -70.829838
where:
bonds (distance) C4'-P energy: -9.763
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -23.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -171.535837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.535837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.535837 (E_RNA)
where:
Base-Base interactions energy: -113.232
where: short stacking energy: -55.678
Base-Backbone interact. energy: -0.619
local terms energy: -57.684055
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -5.976
tors. eta vs tors. theta energy: -11.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -166.379117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.379117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.379117 (E_RNA)
where:
Base-Base interactions energy: -96.608
where: short stacking energy: -54.758
Base-Backbone interact. energy: -0.654
local terms energy: -69.117328
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -18.197
flat angles P-C4'-P energy: -9.108
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: 6, replica: 1
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -100.324025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.324025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.324025 (E_RNA)
where:
Base-Base interactions energy: -45.368
where: short stacking energy: -42.911
Base-Backbone interact. energy: -0.116
local terms energy: -54.839948
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -9.008
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -6.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -115.949351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.949351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.949351 (E_RNA)
where:
Base-Base interactions energy: -50.060
where: short stacking energy: -40.722
Base-Backbone interact. energy: -0.386
local terms energy: -65.502776
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -9.015
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: 5
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -84.987613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.987613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.987613 (E_RNA)
where:
Base-Base interactions energy: -32.168
where: short stacking energy: -31.707
Base-Backbone interact. energy: -0.612
local terms energy: -52.208067
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -10.464
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -4.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -81.734400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.734400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.734400 (E_RNA)
where:
Base-Base interactions energy: -36.202
where: short stacking energy: -28.910
Base-Backbone interact. energy: -0.254
local terms energy: -45.277880
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -10.104
flat angles P-C4'-P energy: -7.211
tors. eta vs tors. theta energy: 0.527
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: 4
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -80.656235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.656235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.656235 (E_RNA)
where:
Base-Base interactions energy: -28.580
where: short stacking energy: -28.086
Base-Backbone interact. energy: -0.049
local terms energy: -52.027821
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -10.212
flat angles C4'-P-C4' energy: -10.390
flat angles P-C4'-P energy: -6.974
tors. eta vs tors. theta energy: -7.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -213.027532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.027532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.027532 (E_RNA)
where:
Base-Base interactions energy: -147.119
where: short stacking energy: -49.952
Base-Backbone interact. energy: 0.226
local terms energy: -66.134893
where:
bonds (distance) C4'-P energy: -17.224
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -9.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -208.007164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.007164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.007164 (E_RNA)
where:
Base-Base interactions energy: -140.900
where: short stacking energy: -57.585
Base-Backbone interact. energy: -0.569
local terms energy: -66.538214
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -4.822
tors. eta vs tors. theta energy: -14.256
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: 2
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -219.701248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.701248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.701248 (E_RNA)
where:
Base-Base interactions energy: -145.552
where: short stacking energy: -69.902
Base-Backbone interact. energy: -0.131
local terms energy: -74.019181
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -11.534
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: -20.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -158.649339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.649339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.649339 (E_RNA)
where:
Base-Base interactions energy: -99.436
where: short stacking energy: -52.549
Base-Backbone interact. energy: -0.732
local terms energy: -58.481690
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -6.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -170.256138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.256138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.256138 (E_RNA)
where:
Base-Base interactions energy: -99.397
where: short stacking energy: -53.370
Base-Backbone interact. energy: -0.171
local terms energy: -70.688404
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -9.886
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: 47
Temperature: 1.150000
Total energy: -106.793360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.793360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.793360 (E_RNA)
where:
Base-Base interactions energy: -47.407
where: short stacking energy: -45.292
Base-Backbone interact. energy: -0.052
local terms energy: -59.334614
where:
bonds (distance) C4'-P energy: -8.352
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -11.589
flat angles P-C4'-P energy: -9.954
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: 7, replica: 1
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -87.999321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.999321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.999321 (E_RNA)
where:
Base-Base interactions energy: -41.170
where: short stacking energy: -27.795
Base-Backbone interact. energy: -0.068
local terms energy: -46.761708
where:
bonds (distance) C4'-P energy: -6.567
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -6.619
tors. eta vs tors. theta energy: -4.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -80.531473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.531473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.531473 (E_RNA)
where:
Base-Base interactions energy: -28.999
where: short stacking energy: -28.999
Base-Backbone interact. energy: -0.066
local terms energy: -51.466599
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -7.266
flat angles P-C4'-P energy: -5.982
tors. eta vs tors. theta energy: -5.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -77.683926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.683926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.683926 (E_RNA)
where:
Base-Base interactions energy: -26.631
where: short stacking energy: -26.631
Base-Backbone interact. energy: -0.238
local terms energy: -50.815075
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -2.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -92.677701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.677701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.677701 (E_RNA)
where:
Base-Base interactions energy: -46.909
where: short stacking energy: -36.228
Base-Backbone interact. energy: -0.004
local terms energy: -45.764599
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -12.077
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: -0.848
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: 8
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -215.151296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.151296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.151296 (E_RNA)
where:
Base-Base interactions energy: -151.815
where: short stacking energy: -47.484
Base-Backbone interact. energy: -0.264
local terms energy: -63.072162
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -6.436
tors. eta vs tors. theta energy: -9.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -217.940544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.940544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.940544 (E_RNA)
where:
Base-Base interactions energy: -145.714
where: short stacking energy: -51.950
Base-Backbone interact. energy: -0.462
local terms energy: -71.764968
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -12.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -219.860096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.860096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.860096 (E_RNA)
where:
Base-Base interactions energy: -145.382
where: short stacking energy: -65.246
Base-Backbone interact. energy: -0.173
local terms energy: -74.304672
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -19.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -162.349770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.349770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.349770 (E_RNA)
where:
Base-Base interactions energy: -89.933
where: short stacking energy: -44.564
Base-Backbone interact. energy: -0.059
local terms energy: -72.357365
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -9.062
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: 10
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -176.006002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.006002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.006002 (E_RNA)
where:
Base-Base interactions energy: -108.612
where: short stacking energy: -51.308
Base-Backbone interact. energy: -0.760
local terms energy: -66.634292
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -15.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -105.642073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.642073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.642073 (E_RNA)
where:
Base-Base interactions energy: -47.320
where: short stacking energy: -47.320
Base-Backbone interact. energy: -0.017
local terms energy: -58.304607
where:
bonds (distance) C4'-P energy: -6.721
bonds (distance) P-C4' energy: -17.303
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -12.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -98.776683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.776683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.776683 (E_RNA)
where:
Base-Base interactions energy: -38.704
where: short stacking energy: -33.345
Base-Backbone interact. energy: 0.620
local terms energy: -60.692521
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -6.092
tors. eta vs tors. theta energy: -5.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -86.454478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.454478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.454478 (E_RNA)
where:
Base-Base interactions energy: -28.312
where: short stacking energy: -28.312
Base-Backbone interact. energy: -0.166
local terms energy: -57.975881
where:
bonds (distance) C4'-P energy: -13.935
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -3.329
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: 9, replica: 4
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -84.647586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.647586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.647586 (E_RNA)
where:
Base-Base interactions energy: -39.445
where: short stacking energy: -24.913
Base-Backbone interact. energy: 0.066
local terms energy: -45.268581
where:
bonds (distance) C4'-P energy: -8.825
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: 2.022
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: 10, replica: 5
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -86.799619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.799619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.799619 (E_RNA)
where:
Base-Base interactions energy: -33.104
where: short stacking energy: -19.499
Base-Backbone interact. energy: -0.109
local terms energy: -53.586956
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -10.633
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -1.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -212.907412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.907412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.907412 (E_RNA)
where:
Base-Base interactions energy: -148.194
where: short stacking energy: -59.771
Base-Backbone interact. energy: -0.755
local terms energy: -63.958610
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -12.339
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -11.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -209.132521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.132521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.132521 (E_RNA)
where:
Base-Base interactions energy: -147.006
where: short stacking energy: -59.769
Base-Backbone interact. energy: 0.645
local terms energy: -62.771727
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -10.823
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -11.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -212.607946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.607946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.607946 (E_RNA)
where:
Base-Base interactions energy: -136.374
where: short stacking energy: -58.177
Base-Backbone interact. energy: -0.003
local terms energy: -76.230699
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -13.254
tors. eta vs tors. theta energy: -18.495
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: 10
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -177.434052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.434052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.434052 (E_RNA)
where:
Base-Base interactions energy: -110.234
where: short stacking energy: -50.442
Base-Backbone interact. energy: -0.045
local terms energy: -67.155377
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -10.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -171.225709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.225709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.225709 (E_RNA)
where:
Base-Base interactions energy: -106.096
where: short stacking energy: -60.865
Base-Backbone interact. energy: -0.054
local terms energy: -65.075620
where:
bonds (distance) C4'-P energy: -10.364
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -12.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -96.849239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.849239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.849239 (E_RNA)
where:
Base-Base interactions energy: -37.745
where: short stacking energy: -37.745
Base-Backbone interact. energy: -0.000
local terms energy: -59.104252
where:
bonds (distance) C4'-P energy: -10.925
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -8.283
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: 49
Temperature: 1.200000
Total energy: -89.971884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.971884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.971884 (E_RNA)
where:
Base-Base interactions energy: -33.424
where: short stacking energy: -33.424
Base-Backbone interact. energy: -0.231
local terms energy: -56.316272
where:
bonds (distance) C4'-P energy: -9.201
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -18.829
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -1.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -89.175181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.175181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.175181 (E_RNA)
where:
Base-Base interactions energy: -34.362
where: short stacking energy: -17.267
Base-Backbone interact. energy: -0.094
local terms energy: -54.719174
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -1.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -81.429249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.429249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.429249 (E_RNA)
where:
Base-Base interactions energy: -40.118
where: short stacking energy: -30.541
Base-Backbone interact. energy: -1.638
local terms energy: -39.674029
where:
bonds (distance) C4'-P energy: -9.107
bonds (distance) P-C4' energy: -11.365
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -4.138
tors. eta vs tors. theta energy: -1.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -72.054511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.054511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.054511 (E_RNA)
where:
Base-Base interactions energy: -28.518
where: short stacking energy: -24.397
Base-Backbone interact. energy: -0.780
local terms energy: -42.757494
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: 0.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -215.092028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.092028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.092028 (E_RNA)
where:
Base-Base interactions energy: -148.680
where: short stacking energy: -50.887
Base-Backbone interact. energy: -0.136
local terms energy: -66.276418
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -14.307
tors. eta vs tors. theta energy: -12.524
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: 8
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -213.698944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.698944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.698944 (E_RNA)
where:
Base-Base interactions energy: -143.171
where: short stacking energy: -56.946
Base-Backbone interact. energy: -0.086
local terms energy: -70.442327
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -12.712
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: 3, replica: 2
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -222.653875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.653875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.653875 (E_RNA)
where:
Base-Base interactions energy: -150.284
where: short stacking energy: -72.148
Base-Backbone interact. energy: -0.005
local terms energy: -72.365162
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: -23.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -172.414018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.414018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.414018 (E_RNA)
where:
Base-Base interactions energy: -106.396
where: short stacking energy: -54.405
Base-Backbone interact. energy: -0.667
local terms energy: -65.350685
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -15.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -150.589080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.589080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.589080 (E_RNA)
where:
Base-Base interactions energy: -90.186
where: short stacking energy: -42.144
Base-Backbone interact. energy: -0.385
local terms energy: -60.017661
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -6.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -98.354336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.354336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.354336 (E_RNA)
where:
Base-Base interactions energy: -40.536
where: short stacking energy: -34.619
Base-Backbone interact. energy: -0.302
local terms energy: -57.516356
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -10.153
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -9.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -98.556888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.556888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.556888 (E_RNA)
where:
Base-Base interactions energy: -39.724
where: short stacking energy: -39.205
Base-Backbone interact. energy: -0.117
local terms energy: -58.716262
where:
bonds (distance) C4'-P energy: -10.170
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -2.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -96.320271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.320271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.320271 (E_RNA)
where:
Base-Base interactions energy: -47.787
where: short stacking energy: -42.861
Base-Backbone interact. energy: -0.161
local terms energy: -48.372507
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -9.017
flat angles C4'-P-C4' energy: -10.089
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: -10.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -83.892495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.892495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.892495 (E_RNA)
where:
Base-Base interactions energy: -32.364
where: short stacking energy: -25.524
Base-Backbone interact. energy: -0.251
local terms energy: -51.277218
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -1.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -77.224994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.224994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.224994 (E_RNA)
where:
Base-Base interactions energy: -25.353
where: short stacking energy: -16.068
Base-Backbone interact. energy: -0.081
local terms energy: -51.791789
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -12.404
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -4.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -227.840583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.840583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.840583 (E_RNA)
where:
Base-Base interactions energy: -155.629
where: short stacking energy: -60.744
Base-Backbone interact. energy: -0.033
local terms energy: -72.178523
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -14.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -223.112746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.112746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.112746 (E_RNA)
where:
Base-Base interactions energy: -148.802
where: short stacking energy: -73.780
Base-Backbone interact. energy: 0.632
local terms energy: -74.943027
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -21.705
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: 8
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -208.780019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.780019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.780019 (E_RNA)
where:
Base-Base interactions energy: -142.398
where: short stacking energy: -46.999
Base-Backbone interact. energy: -0.994
local terms energy: -65.387397
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -9.647
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: 4, replica: 10
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -177.873226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.873226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.873226 (E_RNA)
where:
Base-Base interactions energy: -112.363
where: short stacking energy: -55.450
Base-Backbone interact. energy: -0.295
local terms energy: -65.215042
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -14.983
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: 9
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -168.211919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.211919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.211919 (E_RNA)
where:
Base-Base interactions energy: -102.608
where: short stacking energy: -52.083
Base-Backbone interact. energy: -0.141
local terms energy: -65.462158
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -8.514
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: 6, replica: 1
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -96.514482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.514482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.514482 (E_RNA)
where:
Base-Base interactions energy: -39.070
where: short stacking energy: -37.596
Base-Backbone interact. energy: 1.020
local terms energy: -58.464476
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -1.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -98.235212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.235212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.235212 (E_RNA)
where:
Base-Base interactions energy: -45.036
where: short stacking energy: -32.058
Base-Backbone interact. energy: -0.051
local terms energy: -53.148231
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -3.361
tors. eta vs tors. theta energy: -5.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -121.926079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.926079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.926079 (E_RNA)
where:
Base-Base interactions energy: -71.693
where: short stacking energy: -33.093
Base-Backbone interact. energy: -0.224
local terms energy: -50.009671
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -9.776
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -8.641
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: 9, replica: 6
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -85.876717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.876717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.876717 (E_RNA)
where:
Base-Base interactions energy: -36.742
where: short stacking energy: -23.065
Base-Backbone interact. energy: -0.159
local terms energy: -48.975409
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -6.814
tors. eta vs tors. theta energy: -3.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -83.524897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.524897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.524897 (E_RNA)
where:
Base-Base interactions energy: -41.582
where: short stacking energy: -28.675
Base-Backbone interact. energy: -0.346
local terms energy: -41.596326
where:
bonds (distance) C4'-P energy: -8.497
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -10.995
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -2.040
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: 1, replica: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -223.264489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.264489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.264489 (E_RNA)
where:
Base-Base interactions energy: -144.939
where: short stacking energy: -69.738
Base-Backbone interact. energy: -0.959
local terms energy: -77.367371
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -20.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -224.639369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.639369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.639369 (E_RNA)
where:
Base-Base interactions energy: -151.933
where: short stacking energy: -57.933
Base-Backbone interact. energy: -0.188
local terms energy: -72.518490
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -17.574
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -16.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -179.404424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.404424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.404424 (E_RNA)
where:
Base-Base interactions energy: -108.116
where: short stacking energy: -55.308
Base-Backbone interact. energy: -0.294
local terms energy: -70.994689
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -16.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -194.600732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.600732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.600732 (E_RNA)
where:
Base-Base interactions energy: -127.160
where: short stacking energy: -46.953
Base-Backbone interact. energy: -0.449
local terms energy: -66.991417
where:
bonds (distance) C4'-P energy: -13.508
bonds (distance) P-C4' energy: -15.609
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -12.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -103.304031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.304031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.304031 (E_RNA)
where:
Base-Base interactions energy: -41.326
where: short stacking energy: -41.326
Base-Backbone interact. energy: -0.338
local terms energy: -61.639546
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -5.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -156.784312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.784312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.784312 (E_RNA)
where:
Base-Base interactions energy: -93.459
where: short stacking energy: -43.906
Base-Backbone interact. energy: -0.043
local terms energy: -63.282684
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -5.288
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: 7, replica: 5
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -90.106411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.106411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.106411 (E_RNA)
where:
Base-Base interactions energy: -39.480
where: short stacking energy: -37.692
Base-Backbone interact. energy: -0.367
local terms energy: -50.259398
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -8.237
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -7.221
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: 8, replica: 3
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -81.449292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.449292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.449292 (E_RNA)
where:
Base-Base interactions energy: -34.998
where: short stacking energy: -29.427
Base-Backbone interact. energy: -0.141
local terms energy: -46.311053
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -7.881
flat angles P-C4'-P energy: -4.385
tors. eta vs tors. theta energy: -2.955
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: 9, replica: 4
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -85.726394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.726394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.726394 (E_RNA)
where:
Base-Base interactions energy: -30.960
where: short stacking energy: -30.796
Base-Backbone interact. energy: -0.580
local terms energy: -54.186752
where:
bonds (distance) C4'-P energy: -12.266
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -7.143
tors. eta vs tors. theta energy: -5.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -82.632898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.632898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.632898 (E_RNA)
where:
Base-Base interactions energy: -32.902
where: short stacking energy: -32.638
Base-Backbone interact. energy: -0.054
local terms energy: -49.677311
where:
bonds (distance) C4'-P energy: -9.317
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -9.627
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -3.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -228.217951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.217951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.217951 (E_RNA)
where:
Base-Base interactions energy: -149.207
where: short stacking energy: -72.540
Base-Backbone interact. energy: -0.299
local terms energy: -78.711671
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -17.878
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -20.451
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: 2, replica: 7
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -223.358679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.358679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.358679 (E_RNA)
where:
Base-Base interactions energy: -154.268
where: short stacking energy: -52.050
Base-Backbone interact. energy: -0.282
local terms energy: -68.807990
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -14.024
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -15.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -188.051233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.051233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.051233 (E_RNA)
where:
Base-Base interactions energy: -116.295
where: short stacking energy: -57.750
Base-Backbone interact. energy: -1.175
local terms energy: -70.580265
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -16.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -207.775525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.775525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.775525 (E_RNA)
where:
Base-Base interactions energy: -150.313
where: short stacking energy: -52.926
Base-Backbone interact. energy: -0.113
local terms energy: -57.349015
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -11.814
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -13.153
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: 1
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -103.487216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.487216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.487216 (E_RNA)
where:
Base-Base interactions energy: -45.370
where: short stacking energy: -41.466
Base-Backbone interact. energy: 0.486
local terms energy: -58.603382
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -8.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -171.217267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.217267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.217267 (E_RNA)
where:
Base-Base interactions energy: -103.869
where: short stacking energy: -50.966
Base-Backbone interact. energy: -0.069
local terms energy: -67.279567
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: -20.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -103.177209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.177209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.177209 (E_RNA)
where:
Base-Base interactions energy: -45.636
where: short stacking energy: -43.108
Base-Backbone interact. energy: -0.012
local terms energy: -57.528651
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -5.482
tors. eta vs tors. theta energy: -4.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -90.615671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.615671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.615671 (E_RNA)
where:
Base-Base interactions energy: -39.661
where: short stacking energy: -24.829
Base-Backbone interact. energy: -0.244
local terms energy: -50.710893
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -5.147
tors. eta vs tors. theta energy: -3.990
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: 3
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -91.830386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.830386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.830386 (E_RNA)
where:
Base-Base interactions energy: -36.160
where: short stacking energy: -35.594
Base-Backbone interact. energy: -0.215
local terms energy: -55.455767
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -4.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -80.900251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.900251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.900251 (E_RNA)
where:
Base-Base interactions energy: -32.912
where: short stacking energy: -25.547
Base-Backbone interact. energy: -0.111
local terms energy: -47.876345
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -10.505
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -0.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -223.695409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.695409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.695409 (E_RNA)
where:
Base-Base interactions energy: -150.342
where: short stacking energy: -64.015
Base-Backbone interact. energy: -0.032
local terms energy: -73.321216
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -12.478
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -19.707
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: 7
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -217.560806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.560806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.560806 (E_RNA)
where:
Base-Base interactions energy: -148.233
where: short stacking energy: -54.718
Base-Backbone interact. energy: -0.244
local terms energy: -69.083579
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -16.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -206.197536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.197536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.197536 (E_RNA)
where:
Base-Base interactions energy: -137.094
where: short stacking energy: -50.196
Base-Backbone interact. energy: -1.378
local terms energy: -67.724757
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -13.652
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: 10
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -194.746422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.746422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.746422 (E_RNA)
where:
Base-Base interactions energy: -117.473
where: short stacking energy: -63.953
Base-Backbone interact. energy: -0.004
local terms energy: -77.269503
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -12.562
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -20.337
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: 9
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -168.382193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.382193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.382193 (E_RNA)
where:
Base-Base interactions energy: -108.526
where: short stacking energy: -58.632
Base-Backbone interact. energy: -0.048
local terms energy: -59.807423
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -13.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -95.691857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.691857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.691857 (E_RNA)
where:
Base-Base interactions energy: -48.507
where: short stacking energy: -45.841
Base-Backbone interact. energy: -0.103
local terms energy: -47.081832
where:
bonds (distance) C4'-P energy: -10.216
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -11.383
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -4.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -104.984777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.984777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.984777 (E_RNA)
where:
Base-Base interactions energy: -41.055
where: short stacking energy: -28.008
Base-Backbone interact. energy: 0.344
local terms energy: -64.274336
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -13.846
tors. eta vs tors. theta energy: -4.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -92.193874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.193874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.193874 (E_RNA)
where:
Base-Base interactions energy: -36.880
where: short stacking energy: -36.880
Base-Backbone interact. energy: -0.540
local terms energy: -54.773542
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -6.396
tors. eta vs tors. theta energy: -4.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -87.485745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.485745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.485745 (E_RNA)
where:
Base-Base interactions energy: -39.224
where: short stacking energy: -20.052
Base-Backbone interact. energy: -0.520
local terms energy: -47.741478
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -3.822
tors. eta vs tors. theta energy: -0.871
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: 10, replica: 3
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -80.045053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.045053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.045053 (E_RNA)
where:
Base-Base interactions energy: -28.890
where: short stacking energy: -24.661
Base-Backbone interact. energy: 0.493
local terms energy: -51.648162
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -9.587
flat angles P-C4'-P energy: -10.342
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: 1, replica: 2
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -226.427681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.427681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.427681 (E_RNA)
where:
Base-Base interactions energy: -141.963
where: short stacking energy: -63.534
Base-Backbone interact. energy: -0.708
local terms energy: -83.757499
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -21.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -213.312658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.312658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.312658 (E_RNA)
where:
Base-Base interactions energy: -145.912
where: short stacking energy: -54.702
Base-Backbone interact. energy: -0.626
local terms energy: -66.774570
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -10.520
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: 3, replica: 7
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -207.761375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.761375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.761375 (E_RNA)
where:
Base-Base interactions energy: -142.092
where: short stacking energy: -48.718
Base-Backbone interact. energy: -0.153
local terms energy: -65.516823
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -14.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -185.533461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.533461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.533461 (E_RNA)
where:
Base-Base interactions energy: -112.492
where: short stacking energy: -43.734
Base-Backbone interact. energy: -0.266
local terms energy: -72.775898
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -14.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -160.375348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.375348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.375348 (E_RNA)
where:
Base-Base interactions energy: -95.804
where: short stacking energy: -56.019
Base-Backbone interact. energy: -0.032
local terms energy: -64.539144
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -12.007
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: 5
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -127.059174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.059174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.059174 (E_RNA)
where:
Base-Base interactions energy: -72.020
where: short stacking energy: -46.422
Base-Backbone interact. energy: -0.155
local terms energy: -54.883873
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -10.622
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -8.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -97.908493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.908493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.908493 (E_RNA)
where:
Base-Base interactions energy: -42.844
where: short stacking energy: -32.746
Base-Backbone interact. energy: -0.604
local terms energy: -54.460775
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -7.861
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -8.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -91.685155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.685155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.685155 (E_RNA)
where:
Base-Base interactions energy: -46.652
where: short stacking energy: -35.594
Base-Backbone interact. energy: -0.045
local terms energy: -44.987579
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -11.624
flat angles C4'-P-C4' energy: -7.759
flat angles P-C4'-P energy: -6.814
tors. eta vs tors. theta energy: -2.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -85.456396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.456396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.456396 (E_RNA)
where:
Base-Base interactions energy: -30.599
where: short stacking energy: -26.882
Base-Backbone interact. energy: -0.164
local terms energy: -54.693591
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -11.710
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -2.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -74.494495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.494495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.494495 (E_RNA)
where:
Base-Base interactions energy: -36.499
where: short stacking energy: -20.907
Base-Backbone interact. energy: -0.028
local terms energy: -37.966810
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -1.834
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: 1, replica: 2
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -228.872968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.872968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.872968 (E_RNA)
where:
Base-Base interactions energy: -146.380
where: short stacking energy: -73.420
Base-Backbone interact. energy: -0.030
local terms energy: -82.463476
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -21.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -216.110352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.110352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.110352 (E_RNA)
where:
Base-Base interactions energy: -145.075
where: short stacking energy: -58.069
Base-Backbone interact. energy: -0.585
local terms energy: -70.450112
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -11.643
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: -16.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -185.775185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.775185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.775185 (E_RNA)
where:
Base-Base interactions energy: -123.662
where: short stacking energy: -56.514
Base-Backbone interact. energy: -0.205
local terms energy: -61.907585
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -10.081
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: 4, replica: 7
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -214.915995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.915995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.915995 (E_RNA)
where:
Base-Base interactions energy: -141.333
where: short stacking energy: -68.105
Base-Backbone interact. energy: -0.012
local terms energy: -73.571561
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -21.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -143.230062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.230062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.230062 (E_RNA)
where:
Base-Base interactions energy: -87.187
where: short stacking energy: -42.177
Base-Backbone interact. energy: 1.786
local terms energy: -57.829198
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -8.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -117.429570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.429570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.429570 (E_RNA)
where:
Base-Base interactions energy: -61.285
where: short stacking energy: -43.850
Base-Backbone interact. energy: -1.101
local terms energy: -55.043128
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -7.336
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: 7, replica: 6
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -102.743706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.743706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.743706 (E_RNA)
where:
Base-Base interactions energy: -40.321
where: short stacking energy: -35.099
Base-Backbone interact. energy: 0.893
local terms energy: -63.315310
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -3.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -80.099520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.099520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.099520 (E_RNA)
where:
Base-Base interactions energy: -28.265
where: short stacking energy: -28.265
Base-Backbone interact. energy: -0.100
local terms energy: -51.734251
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -2.891
tors. eta vs tors. theta energy: -4.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -91.100514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.100514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.100514 (E_RNA)
where:
Base-Base interactions energy: -42.977
where: short stacking energy: -26.160
Base-Backbone interact. energy: -0.248
local terms energy: -47.875608
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -79.767189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.767189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.767189 (E_RNA)
where:
Base-Base interactions energy: -27.584
where: short stacking energy: -26.198
Base-Backbone interact. energy: -0.169
local terms energy: -52.013807
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -9.716
flat angles P-C4'-P energy: -9.234
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: 2
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -222.816739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.816739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.816739 (E_RNA)
where:
Base-Base interactions energy: -148.080
where: short stacking energy: -71.951
Base-Backbone interact. energy: -0.004
local terms energy: -74.732680
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -18.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -213.731982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.731982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.731982 (E_RNA)
where:
Base-Base interactions energy: -144.754
where: short stacking energy: -58.774
Base-Backbone interact. energy: -0.478
local terms energy: -68.499879
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -10.098
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: 3, replica: 10
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -189.140917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.140917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.140917 (E_RNA)
where:
Base-Base interactions energy: -116.181
where: short stacking energy: -58.072
Base-Backbone interact. energy: -0.875
local terms energy: -72.085004
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -11.428
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -19.494
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: 7
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -211.902461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.902461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.902461 (E_RNA)
where:
Base-Base interactions energy: -140.304
where: short stacking energy: -74.905
Base-Backbone interact. energy: -0.318
local terms energy: -71.281342
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -18.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -147.032290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.032290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.032290 (E_RNA)
where:
Base-Base interactions energy: -90.879
where: short stacking energy: -46.870
Base-Backbone interact. energy: -0.014
local terms energy: -56.139632
where:
bonds (distance) C4'-P energy: -9.620
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -7.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -103.627239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.627239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.627239 (E_RNA)
where:
Base-Base interactions energy: -50.187
where: short stacking energy: -41.497
Base-Backbone interact. energy: -0.329
local terms energy: -53.110960
where:
bonds (distance) C4'-P energy: -9.242
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -9.323
flat angles P-C4'-P energy: -10.023
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: 7, replica: 5
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -96.105853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.105853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.105853 (E_RNA)
where:
Base-Base interactions energy: -38.295
where: short stacking energy: -35.186
Base-Backbone interact. energy: -0.133
local terms energy: -57.678094
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -11.638
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: -8.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -98.453263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.453263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.453263 (E_RNA)
where:
Base-Base interactions energy: -49.220
where: short stacking energy: -23.705
Base-Backbone interact. energy: -3.388
local terms energy: -45.845054
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -13.386
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -5.443
tors. eta vs tors. theta energy: -0.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -80.153838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.153838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.153838 (E_RNA)
where:
Base-Base interactions energy: -43.855
where: short stacking energy: -35.479
Base-Backbone interact. energy: 0.556
local terms energy: -36.855229
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -9.511
flat angles C4'-P-C4' energy: -11.123
flat angles P-C4'-P energy: -5.780
tors. eta vs tors. theta energy: 0.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -77.225213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.225213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.225213 (E_RNA)
where:
Base-Base interactions energy: -27.359
where: short stacking energy: -27.359
Base-Backbone interact. energy: -0.018
local terms energy: -49.848125
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -10.872
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -4.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -217.415927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.415927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.415927 (E_RNA)
where:
Base-Base interactions energy: -147.473
where: short stacking energy: -58.421
Base-Backbone interact. energy: -0.652
local terms energy: -69.291663
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -12.604
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: 2
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -212.326536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.326536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.326536 (E_RNA)
where:
Base-Base interactions energy: -133.901
where: short stacking energy: -59.684
Base-Backbone interact. energy: -0.006
local terms energy: -78.419939
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -16.562
flat angles P-C4'-P energy: -12.424
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: 7
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -219.704673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.704673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.704673 (E_RNA)
where:
Base-Base interactions energy: -138.908
where: short stacking energy: -66.882
Base-Backbone interact. energy: -0.010
local terms energy: -80.787120
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -20.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -174.470344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.470344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.470344 (E_RNA)
where:
Base-Base interactions energy: -104.373
where: short stacking energy: -56.337
Base-Backbone interact. energy: -0.732
local terms energy: -69.366028
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -14.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -185.517623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.517623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.517623 (E_RNA)
where:
Base-Base interactions energy: -113.263
where: short stacking energy: -60.411
Base-Backbone interact. energy: -0.059
local terms energy: -72.194820
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -13.192
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: 6, replica: 6
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -102.897428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.897428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.897428 (E_RNA)
where:
Base-Base interactions energy: -44.655
where: short stacking energy: -44.655
Base-Backbone interact. energy: 3.594
local terms energy: -61.835656
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -6.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -106.908015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.908015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.908015 (E_RNA)
where:
Base-Base interactions energy: -53.690
where: short stacking energy: -34.196
Base-Backbone interact. energy: -0.120
local terms energy: -53.097168
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -5.754
tors. eta vs tors. theta energy: -2.839
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: 5
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -91.165354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.165354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.165354 (E_RNA)
where:
Base-Base interactions energy: -39.165
where: short stacking energy: -26.372
Base-Backbone interact. energy: -0.892
local terms energy: -51.107681
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -8.328
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -2.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -89.313103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.313103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.313103 (E_RNA)
where:
Base-Base interactions energy: -38.217
where: short stacking energy: -29.659
Base-Backbone interact. energy: -0.175
local terms energy: -50.921303
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -12.302
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -2.291
tors. eta vs tors. theta energy: -3.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -73.265694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.265694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.265694 (E_RNA)
where:
Base-Base interactions energy: -29.710
where: short stacking energy: -29.710
Base-Backbone interact. energy: 0.212
local terms energy: -43.767773
where:
bonds (distance) C4'-P energy: -9.966
bonds (distance) P-C4' energy: -10.146
flat angles C4'-P-C4' energy: -9.527
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -2.387
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: 8
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -212.896727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.896727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.896727 (E_RNA)
where:
Base-Base interactions energy: -147.836
where: short stacking energy: -54.494
Base-Backbone interact. energy: -0.406
local terms energy: -64.655058
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -11.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -220.723574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.723574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.723574 (E_RNA)
where:
Base-Base interactions energy: -144.544
where: short stacking energy: -55.220
Base-Backbone interact. energy: -2.259
local terms energy: -73.920522
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -18.175
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -18.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -206.558436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.558436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.558436 (E_RNA)
where:
Base-Base interactions energy: -143.033
where: short stacking energy: -64.527
Base-Backbone interact. energy: -0.030
local terms energy: -63.495544
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -6.512
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: 4, replica: 10
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -175.078692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.078692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.078692 (E_RNA)
where:
Base-Base interactions energy: -107.970
where: short stacking energy: -51.310
Base-Backbone interact. energy: -0.082
local terms energy: -67.026603
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -11.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -159.485564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.485564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.485564 (E_RNA)
where:
Base-Base interactions energy: -96.130
where: short stacking energy: -55.297
Base-Backbone interact. energy: -0.058
local terms energy: -63.298255
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -9.745
flat angles C4'-P-C4' energy: -17.703
flat angles P-C4'-P energy: -8.521
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: 6, replica: 3
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -101.801136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.801136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.801136 (E_RNA)
where:
Base-Base interactions energy: -45.150
where: short stacking energy: -45.150
Base-Backbone interact. energy: -0.054
local terms energy: -56.597346
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -4.880
tors. eta vs tors. theta energy: -10.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -103.365478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.365478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.365478 (E_RNA)
where:
Base-Base interactions energy: -49.426
where: short stacking energy: -37.086
Base-Backbone interact. energy: -0.017
local terms energy: -53.921669
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -3.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -84.924138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.924138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.924138 (E_RNA)
where:
Base-Base interactions energy: -37.037
where: short stacking energy: -33.191
Base-Backbone interact. energy: 2.095
local terms energy: -49.981723
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -6.707
tors. eta vs tors. theta energy: -1.255
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: 5
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -82.314137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.314137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.314137 (E_RNA)
where:
Base-Base interactions energy: -35.713
where: short stacking energy: -27.343
Base-Backbone interact. energy: -0.180
local terms energy: -46.420730
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -8.605
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -2.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -73.617464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.617464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.617464 (E_RNA)
where:
Base-Base interactions energy: -27.872
where: short stacking energy: -27.872
Base-Backbone interact. energy: -0.136
local terms energy: -45.609560
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -6.301
tors. eta vs tors. theta energy: -0.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -216.797267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.797267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.797267 (E_RNA)
where:
Base-Base interactions energy: -151.609
where: short stacking energy: -59.011
Base-Backbone interact. energy: -0.275
local terms energy: -64.912816
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -10.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -224.827943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.827943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.827943 (E_RNA)
where:
Base-Base interactions energy: -142.086
where: short stacking energy: -67.749
Base-Backbone interact. energy: -0.006
local terms energy: -82.735199
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -15.858
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -19.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -192.550485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.550485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.550485 (E_RNA)
where:
Base-Base interactions energy: -121.009
where: short stacking energy: -60.217
Base-Backbone interact. energy: -0.416
local terms energy: -71.124738
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -12.316
flat angles C4'-P-C4' energy: -18.666
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -15.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -220.061209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.061209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.061209 (E_RNA)
where:
Base-Base interactions energy: -147.193
where: short stacking energy: -61.394
Base-Backbone interact. energy: -0.076
local terms energy: -72.791770
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -19.621
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: 9
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -153.748914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.748914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.748914 (E_RNA)
where:
Base-Base interactions energy: -92.269
where: short stacking energy: -45.470
Base-Backbone interact. energy: -0.354
local terms energy: -61.125875
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -8.711
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: 3
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -102.754502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.754502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.754502 (E_RNA)
where:
Base-Base interactions energy: -52.692
where: short stacking energy: -28.916
Base-Backbone interact. energy: 0.280
local terms energy: -50.342244
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -11.382
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -3.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -85.407773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.407773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.407773 (E_RNA)
where:
Base-Base interactions energy: -40.403
where: short stacking energy: -32.099
Base-Backbone interact. energy: -0.777
local terms energy: -44.227849
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -6.531
tors. eta vs tors. theta energy: 1.128
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: 8, replica: 1
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -80.211164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.211164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.211164 (E_RNA)
where:
Base-Base interactions energy: -32.930
where: short stacking energy: -28.498
Base-Backbone interact. energy: -0.241
local terms energy: -47.039419
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -2.172
tors. eta vs tors. theta energy: 0.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -93.424097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.424097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.424097 (E_RNA)
where:
Base-Base interactions energy: -39.415
where: short stacking energy: -39.415
Base-Backbone interact. energy: -0.194
local terms energy: -53.815184
where:
bonds (distance) C4'-P energy: -10.792
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -10.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -76.561665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.561665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.561665 (E_RNA)
where:
Base-Base interactions energy: -33.764
where: short stacking energy: -25.921
Base-Backbone interact. energy: -0.283
local terms energy: -42.514803
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -5.668
tors. eta vs tors. theta energy: -0.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -211.154985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.154985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.154985 (E_RNA)
where:
Base-Base interactions energy: -144.437
where: short stacking energy: -47.090
Base-Backbone interact. energy: -0.899
local terms energy: -65.818440
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -11.499
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: 2, replica: 7
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -224.625051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.625051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.625051 (E_RNA)
where:
Base-Base interactions energy: -142.630
where: short stacking energy: -68.047
Base-Backbone interact. energy: -0.015
local terms energy: -81.979279
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -19.393
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: 3, replica: 10
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -188.746495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.746495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.746495 (E_RNA)
where:
Base-Base interactions energy: -115.318
where: short stacking energy: -59.611
Base-Backbone interact. energy: -0.292
local terms energy: -73.136257
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -12.031
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: 4, replica: 2
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -215.720578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.720578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.720578 (E_RNA)
where:
Base-Base interactions energy: -137.384
where: short stacking energy: -63.467
Base-Backbone interact. energy: -0.004
local terms energy: -78.332479
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -19.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -165.932583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.932583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.932583 (E_RNA)
where:
Base-Base interactions energy: -103.879
where: short stacking energy: -49.614
Base-Backbone interact. energy: -1.281
local terms energy: -60.772477
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -9.395
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -12.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -109.949192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.949192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.949192 (E_RNA)
where:
Base-Base interactions energy: -65.055
where: short stacking energy: -47.988
Base-Backbone interact. energy: -0.020
local terms energy: -44.874185
where:
bonds (distance) C4'-P energy: -8.067
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -9.295
flat angles P-C4'-P energy: -4.433
tors. eta vs tors. theta energy: -9.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -91.679451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.679451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.679451 (E_RNA)
where:
Base-Base interactions energy: -45.439
where: short stacking energy: -45.290
Base-Backbone interact. energy: 1.971
local terms energy: -48.210786
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -6.623
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -6.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -88.967917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.967917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.967917 (E_RNA)
where:
Base-Base interactions energy: -36.135
where: short stacking energy: -32.949
Base-Backbone interact. energy: -0.145
local terms energy: -52.688481
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -7.004
flat angles P-C4'-P energy: -8.616
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: 9, replica: 1
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -77.145211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.145211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.145211 (E_RNA)
where:
Base-Base interactions energy: -30.377
where: short stacking energy: -30.377
Base-Backbone interact. energy: -0.214
local terms energy: -46.554145
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -9.340
flat angles C4'-P-C4' energy: -8.741
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: -0.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -71.524604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.524604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.524604 (E_RNA)
where:
Base-Base interactions energy: -22.922
where: short stacking energy: -20.634
Base-Backbone interact. energy: -0.236
local terms energy: -48.367239
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: 3.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -223.245702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.245702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.245702 (E_RNA)
where:
Base-Base interactions energy: -147.904
where: short stacking energy: -71.668
Base-Backbone interact. energy: -0.006
local terms energy: -75.335376
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -20.451
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: 2, replica: 8
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -208.645620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.645620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.645620 (E_RNA)
where:
Base-Base interactions energy: -137.723
where: short stacking energy: -52.184
Base-Backbone interact. energy: -0.015
local terms energy: -70.908407
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -18.985
flat angles P-C4'-P energy: -8.635
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: 3, replica: 2
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -201.194724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.194724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.194724 (E_RNA)
where:
Base-Base interactions energy: -129.621
where: short stacking energy: -53.135
Base-Backbone interact. energy: -0.531
local terms energy: -71.043301
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -11.685
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: 4, replica: 10
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -182.240067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.240067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.240067 (E_RNA)
where:
Base-Base interactions energy: -116.130
where: short stacking energy: -54.160
Base-Backbone interact. energy: -0.295
local terms energy: -65.815403
where:
bonds (distance) C4'-P energy: -14.296
bonds (distance) P-C4' energy: -11.026
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -14.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -166.476820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.476820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.476820 (E_RNA)
where:
Base-Base interactions energy: -105.236
where: short stacking energy: -48.984
Base-Backbone interact. energy: 1.139
local terms energy: -62.379141
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -11.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -113.557096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.557096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.557096 (E_RNA)
where:
Base-Base interactions energy: -56.915
where: short stacking energy: -40.148
Base-Backbone interact. energy: -0.135
local terms energy: -56.507269
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -5.643
tors. eta vs tors. theta energy: -7.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -101.533021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.533021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.533021 (E_RNA)
where:
Base-Base interactions energy: -52.434
where: short stacking energy: -32.181
Base-Backbone interact. energy: -0.197
local terms energy: -48.902498
where:
bonds (distance) C4'-P energy: -6.358
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -6.593
tors. eta vs tors. theta energy: -4.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -93.720441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.720441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.720441 (E_RNA)
where:
Base-Base interactions energy: -38.017
where: short stacking energy: -38.017
Base-Backbone interact. energy: 0.357
local terms energy: -56.060873
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -4.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -81.374485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.374485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.374485 (E_RNA)
where:
Base-Base interactions energy: -28.493
where: short stacking energy: -25.901
Base-Backbone interact. energy: 0.038
local terms energy: -52.919464
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -5.398
tors. eta vs tors. theta energy: -6.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -80.252842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.252842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.252842 (E_RNA)
where:
Base-Base interactions energy: -35.685
where: short stacking energy: -22.725
Base-Backbone interact. energy: -0.031
local terms energy: -44.536963
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -6.107
tors. eta vs tors. theta energy: -1.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -231.941434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.941434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.941434 (E_RNA)
where:
Base-Base interactions energy: -147.490
where: short stacking energy: -70.427
Base-Backbone interact. energy: -0.301
local terms energy: -84.150569
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -17.815
flat angles P-C4'-P energy: -11.475
tors. eta vs tors. theta energy: -21.573
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: 2
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -212.647655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.647655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.647655 (E_RNA)
where:
Base-Base interactions energy: -144.103
where: short stacking energy: -51.408
Base-Backbone interact. energy: -0.720
local terms energy: -67.824513
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -10.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -210.695871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.695871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.695871 (E_RNA)
where:
Base-Base interactions energy: -148.542
where: short stacking energy: -55.186
Base-Backbone interact. energy: -0.356
local terms energy: -61.797199
where:
bonds (distance) C4'-P energy: -11.667
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -8.471
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: 4, replica: 10
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -179.798125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.798125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.798125 (E_RNA)
where:
Base-Base interactions energy: -106.472
where: short stacking energy: -59.249
Base-Backbone interact. energy: -0.783
local terms energy: -72.542901
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -14.427
tors. eta vs tors. theta energy: -15.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -164.346905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.346905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.346905 (E_RNA)
where:
Base-Base interactions energy: -106.476
where: short stacking energy: -52.277
Base-Backbone interact. energy: -0.091
local terms energy: -57.780543
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -6.606
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: 63
Temperature: 1.150000
Total energy: -93.701565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.701565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.701565 (E_RNA)
where:
Base-Base interactions energy: -36.524
where: short stacking energy: -36.524
Base-Backbone interact. energy: -0.030
local terms energy: -57.146813
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -4.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -115.727809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.727809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.727809 (E_RNA)
where:
Base-Base interactions energy: -60.171
where: short stacking energy: -30.277
Base-Backbone interact. energy: -0.517
local terms energy: -55.040340
where:
bonds (distance) C4'-P energy: -7.552
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -7.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -128.583703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.583703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.583703 (E_RNA)
where:
Base-Base interactions energy: -84.406
where: short stacking energy: -48.976
Base-Backbone interact. energy: -0.225
local terms energy: -43.952978
where:
bonds (distance) C4'-P energy: -9.537
bonds (distance) P-C4' energy: -7.910
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -6.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -77.709746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.709746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.709746 (E_RNA)
where:
Base-Base interactions energy: -38.308
where: short stacking energy: -29.710
Base-Backbone interact. energy: -0.214
local terms energy: -39.187979
where:
bonds (distance) C4'-P energy: -9.810
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -7.399
flat angles P-C4'-P energy: -3.215
tors. eta vs tors. theta energy: -3.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -79.371372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.371372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.371372 (E_RNA)
where:
Base-Base interactions energy: -28.797
where: short stacking energy: -25.253
Base-Backbone interact. energy: 0.041
local terms energy: -50.615847
where:
bonds (distance) C4'-P energy: -10.308
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -3.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -220.998385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.998385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.998385 (E_RNA)
where:
Base-Base interactions energy: -143.424
where: short stacking energy: -72.413
Base-Backbone interact. energy: -0.255
local terms energy: -77.319682
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -19.657
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: 2
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -194.663884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.663884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.663884 (E_RNA)
where:
Base-Base interactions energy: -126.881
where: short stacking energy: -54.168
Base-Backbone interact. energy: -0.404
local terms energy: -67.378889
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -9.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -195.673132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.673132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.673132 (E_RNA)
where:
Base-Base interactions energy: -120.224
where: short stacking energy: -66.189
Base-Backbone interact. energy: -0.024
local terms energy: -75.425516
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -12.070
flat angles P-C4'-P energy: -14.209
tors. eta vs tors. theta energy: -20.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -209.035024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.035024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.035024 (E_RNA)
where:
Base-Base interactions energy: -140.664
where: short stacking energy: -61.199
Base-Backbone interact. energy: -0.251
local terms energy: -68.119539
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -7.895
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: 5, replica: 9
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -167.774783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.774783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.774783 (E_RNA)
where:
Base-Base interactions energy: -96.272
where: short stacking energy: -48.889
Base-Backbone interact. energy: -0.016
local terms energy: -71.486385
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -16.827
flat angles C4'-P-C4' energy: -17.318
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -12.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -100.299821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.299821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.299821 (E_RNA)
where:
Base-Base interactions energy: -41.393
where: short stacking energy: -41.212
Base-Backbone interact. energy: 0.954
local terms energy: -59.860518
where:
bonds (distance) C4'-P energy: -10.376
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -10.799
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -12.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -167.882170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.882170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.882170 (E_RNA)
where:
Base-Base interactions energy: -107.090
where: short stacking energy: -61.494
Base-Backbone interact. energy: -0.153
local terms energy: -60.638981
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -9.424
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -12.198
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: 6
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -95.304281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.304281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.304281 (E_RNA)
where:
Base-Base interactions energy: -48.458
where: short stacking energy: -24.442
Base-Backbone interact. energy: -0.308
local terms energy: -46.538075
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -8.777
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: 0.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -72.247852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.247852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.247852 (E_RNA)
where:
Base-Base interactions energy: -34.169
where: short stacking energy: -27.452
Base-Backbone interact. energy: 2.149
local terms energy: -40.228592
where:
bonds (distance) C4'-P energy: -5.227
bonds (distance) P-C4' energy: -11.667
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: 2.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -83.395939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.395939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.395939 (E_RNA)
where:
Base-Base interactions energy: -29.972
where: short stacking energy: -29.972
Base-Backbone interact. energy: -0.114
local terms energy: -53.310813
where:
bonds (distance) C4'-P energy: -8.820
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -6.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -226.738700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.738700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.738700 (E_RNA)
where:
Base-Base interactions energy: -147.828
where: short stacking energy: -60.051
Base-Backbone interact. energy: -1.125
local terms energy: -77.785934
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -11.842
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: 2
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -189.867261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.867261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.867261 (E_RNA)
where:
Base-Base interactions energy: -124.152
where: short stacking energy: -47.136
Base-Backbone interact. energy: -0.254
local terms energy: -65.460641
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -12.354
flat angles C4'-P-C4' energy: -11.770
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -13.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -192.298531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.298531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.298531 (E_RNA)
where:
Base-Base interactions energy: -121.736
where: short stacking energy: -58.577
Base-Backbone interact. energy: -1.400
local terms energy: -69.162267
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -13.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -207.687304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.687304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.687304 (E_RNA)
where:
Base-Base interactions energy: -137.084
where: short stacking energy: -57.478
Base-Backbone interact. energy: -0.576
local terms energy: -70.027582
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -17.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -171.737059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.737059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.737059 (E_RNA)
where:
Base-Base interactions energy: -109.822
where: short stacking energy: -60.857
Base-Backbone interact. energy: -0.171
local terms energy: -61.743635
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -11.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -171.189290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.189290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.189290 (E_RNA)
where:
Base-Base interactions energy: -106.011
where: short stacking energy: -57.415
Base-Backbone interact. energy: -0.029
local terms energy: -65.149304
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -8.027
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: 7, replica: 3
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -91.433765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.433765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.433765 (E_RNA)
where:
Base-Base interactions energy: -28.691
where: short stacking energy: -25.247
Base-Backbone interact. energy: -1.618
local terms energy: -61.124615
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -9.901
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: 8, replica: 1
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -94.324549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.324549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.324549 (E_RNA)
where:
Base-Base interactions energy: -42.627
where: short stacking energy: -30.621
Base-Backbone interact. energy: -1.355
local terms energy: -50.341816
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -2.088
tors. eta vs tors. theta energy: -6.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -76.847776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.847776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.847776 (E_RNA)
where:
Base-Base interactions energy: -24.864
where: short stacking energy: -21.717
Base-Backbone interact. energy: -0.295
local terms energy: -51.688545
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: 0.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -70.071373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.071373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.071373 (E_RNA)
where:
Base-Base interactions energy: -25.723
where: short stacking energy: -21.676
Base-Backbone interact. energy: -0.192
local terms energy: -44.156097
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -9.448
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -0.730
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: 7
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -225.482149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.482149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.482149 (E_RNA)
where:
Base-Base interactions energy: -148.952
where: short stacking energy: -69.734
Base-Backbone interact. energy: -0.106
local terms energy: -76.424070
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -19.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -195.002095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.002095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.002095 (E_RNA)
where:
Base-Base interactions energy: -127.177
where: short stacking energy: -53.783
Base-Backbone interact. energy: -0.796
local terms energy: -67.029334
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -13.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -213.938929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.938929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.938929 (E_RNA)
where:
Base-Base interactions energy: -142.978
where: short stacking energy: -64.250
Base-Backbone interact. energy: -0.075
local terms energy: -70.886115
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -16.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -174.463252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.463252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.463252 (E_RNA)
where:
Base-Base interactions energy: -108.191
where: short stacking energy: -52.109
Base-Backbone interact. energy: -0.161
local terms energy: -66.111179
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -13.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -159.678865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.678865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.678865 (E_RNA)
where:
Base-Base interactions energy: -97.803
where: short stacking energy: -52.371
Base-Backbone interact. energy: -0.970
local terms energy: -60.906192
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -11.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -158.975920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.975920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.975920 (E_RNA)
where:
Base-Base interactions energy: -104.196
where: short stacking energy: -46.729
Base-Backbone interact. energy: -0.297
local terms energy: -54.482209
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -4.946
tors. eta vs tors. theta energy: -6.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -90.715946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.715946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.715946 (E_RNA)
where:
Base-Base interactions energy: -34.139
where: short stacking energy: -32.969
Base-Backbone interact. energy: -0.711
local terms energy: -55.866710
where:
bonds (distance) C4'-P energy: -9.522
bonds (distance) P-C4' energy: -17.321
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -6.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -88.034666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.034666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.034666 (E_RNA)
where:
Base-Base interactions energy: -33.796
where: short stacking energy: -33.796
Base-Backbone interact. energy: -0.173
local terms energy: -54.066548
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -12.221
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -11.259
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: 9, replica: 4
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -84.279651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.279651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.279651 (E_RNA)
where:
Base-Base interactions energy: -31.878
where: short stacking energy: -31.878
Base-Backbone interact. energy: 0.295
local terms energy: -52.696701
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -9.671
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -4.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -74.723592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.723592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.723592 (E_RNA)
where:
Base-Base interactions energy: -31.674
where: short stacking energy: -29.673
Base-Backbone interact. energy: -0.303
local terms energy: -42.746092
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -9.593
flat angles C4'-P-C4' energy: -8.450
flat angles P-C4'-P energy: -4.821
tors. eta vs tors. theta energy: -7.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -214.542077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.542077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.542077 (E_RNA)
where:
Base-Base interactions energy: -140.284
where: short stacking energy: -68.859
Base-Backbone interact. energy: -0.001
local terms energy: -74.257445
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -17.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -216.203264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.203264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.203264 (E_RNA)
where:
Base-Base interactions energy: -142.226
where: short stacking energy: -71.612
Base-Backbone interact. energy: -0.032
local terms energy: -73.944789
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -8.317
tors. eta vs tors. theta energy: -22.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -211.853794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.853794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.853794 (E_RNA)
where:
Base-Base interactions energy: -146.844
where: short stacking energy: -54.331
Base-Backbone interact. energy: -0.661
local terms energy: -64.348813
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -11.092
flat angles P-C4'-P energy: -6.508
tors. eta vs tors. theta energy: -18.099
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: 4, replica: 9
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -164.436079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.436079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.436079 (E_RNA)
where:
Base-Base interactions energy: -110.791
where: short stacking energy: -56.114
Base-Backbone interact. energy: -0.023
local terms energy: -53.622788
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -11.547
flat angles C4'-P-C4' energy: -10.737
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -10.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -191.310072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.310072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.310072 (E_RNA)
where:
Base-Base interactions energy: -125.870
where: short stacking energy: -64.078
Base-Backbone interact. energy: -0.134
local terms energy: -65.306287
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -6.603
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: 6, replica: 5
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -171.753012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.753012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.753012 (E_RNA)
where:
Base-Base interactions energy: -105.234
where: short stacking energy: -60.523
Base-Backbone interact. energy: -0.567
local terms energy: -65.951962
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -11.340
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -15.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -136.847663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.847663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.847663 (E_RNA)
where:
Base-Base interactions energy: -73.346
where: short stacking energy: -40.789
Base-Backbone interact. energy: 1.317
local terms energy: -64.818465
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -10.543
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: 8, replica: 4
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -103.396456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.396456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.396456 (E_RNA)
where:
Base-Base interactions energy: -58.117
where: short stacking energy: -21.142
Base-Backbone interact. energy: -0.420
local terms energy: -44.859436
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -6.284
tors. eta vs tors. theta energy: 3.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -76.750246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.750246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.750246 (E_RNA)
where:
Base-Base interactions energy: -29.588
where: short stacking energy: -29.178
Base-Backbone interact. energy: 0.353
local terms energy: -47.515633
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -11.527
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -0.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -76.754574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.754574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.754574 (E_RNA)
where:
Base-Base interactions energy: -28.164
where: short stacking energy: -25.132
Base-Backbone interact. energy: -0.120
local terms energy: -48.469910
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -3.048
tors. eta vs tors. theta energy: -3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -221.313637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.313637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.313637 (E_RNA)
where:
Base-Base interactions energy: -148.028
where: short stacking energy: -57.246
Base-Backbone interact. energy: -2.564
local terms energy: -70.721561
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -16.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -226.682043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.682043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.682043 (E_RNA)
where:
Base-Base interactions energy: -146.718
where: short stacking energy: -72.266
Base-Backbone interact. energy: -0.005
local terms energy: -79.959348
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -20.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -217.189428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.189428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.189428 (E_RNA)
where:
Base-Base interactions energy: -136.339
where: short stacking energy: -62.149
Base-Backbone interact. energy: 0.603
local terms energy: -81.453593
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -13.268
tors. eta vs tors. theta energy: -20.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -166.472509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.472509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.472509 (E_RNA)
where:
Base-Base interactions energy: -98.202
where: short stacking energy: -56.018
Base-Backbone interact. energy: -0.159
local terms energy: -68.111746
where:
bonds (distance) C4'-P energy: -9.765
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -10.272
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: 5, replica: 10
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -173.526975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.526975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.526975 (E_RNA)
where:
Base-Base interactions energy: -94.601
where: short stacking energy: -52.916
Base-Backbone interact. energy: -0.156
local terms energy: -78.769929
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -18.233
flat angles C4'-P-C4' energy: -18.273
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -16.040
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: 5
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -154.205286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.205286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.205286 (E_RNA)
where:
Base-Base interactions energy: -92.743
where: short stacking energy: -48.868
Base-Backbone interact. energy: 0.049
local terms energy: -61.512009
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -6.600
tors. eta vs tors. theta energy: -10.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -150.487380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.487380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.487380 (E_RNA)
where:
Base-Base interactions energy: -100.869
where: short stacking energy: -38.957
Base-Backbone interact. energy: -0.797
local terms energy: -48.821991
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -5.302
tors. eta vs tors. theta energy: -6.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -138.148908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.148908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.148908 (E_RNA)
where:
Base-Base interactions energy: -83.711
where: short stacking energy: -38.786
Base-Backbone interact. energy: -0.686
local terms energy: -53.752518
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -6.420
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -5.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -74.835352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.835352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.835352 (E_RNA)
where:
Base-Base interactions energy: -29.229
where: short stacking energy: -27.675
Base-Backbone interact. energy: -0.162
local terms energy: -45.444663
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -7.008
tors. eta vs tors. theta energy: -0.537
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: 10, replica: 3
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -72.232133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.232133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.232133 (E_RNA)
where:
Base-Base interactions energy: -33.441
where: short stacking energy: -17.214
Base-Backbone interact. energy: -0.138
local terms energy: -38.652890
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -7.598
flat angles P-C4'-P energy: -5.836
tors. eta vs tors. theta energy: 1.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -216.737730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.737730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.737730 (E_RNA)
where:
Base-Base interactions energy: -144.560
where: short stacking energy: -62.308
Base-Backbone interact. energy: -0.029
local terms energy: -72.148601
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -6.584
tors. eta vs tors. theta energy: -17.275
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: 2
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -220.277161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.277161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.277161 (E_RNA)
where:
Base-Base interactions energy: -146.571
where: short stacking energy: -76.060
Base-Backbone interact. energy: -0.102
local terms energy: -73.604393
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -10.668
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -20.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -224.561753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.561753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.561753 (E_RNA)
where:
Base-Base interactions energy: -145.292
where: short stacking energy: -77.716
Base-Backbone interact. energy: -0.097
local terms energy: -79.172817
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -22.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -170.981450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.981450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.981450 (E_RNA)
where:
Base-Base interactions energy: -106.859
where: short stacking energy: -50.389
Base-Backbone interact. energy: -0.050
local terms energy: -64.072757
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -9.812
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: 5, replica: 10
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -177.018239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.018239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.018239 (E_RNA)
where:
Base-Base interactions energy: -112.366
where: short stacking energy: -60.211
Base-Backbone interact. energy: -0.531
local terms energy: -64.120715
where:
bonds (distance) C4'-P energy: -7.580
bonds (distance) P-C4' energy: -16.025
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -16.671
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: 5
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -145.877370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.877370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.877370 (E_RNA)
where:
Base-Base interactions energy: -88.723
where: short stacking energy: -48.578
Base-Backbone interact. energy: 3.292
local terms energy: -60.446062
where:
bonds (distance) C4'-P energy: -10.684
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -7.193
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: 7, replica: 4
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -139.558438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.558438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.558438 (E_RNA)
where:
Base-Base interactions energy: -85.496
where: short stacking energy: -31.439
Base-Backbone interact. energy: -0.501
local terms energy: -53.560926
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -0.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -94.507250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.507250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.507250 (E_RNA)
where:
Base-Base interactions energy: -37.849
where: short stacking energy: -36.689
Base-Backbone interact. energy: 1.051
local terms energy: -57.709358
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -12.357
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -8.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -73.310077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.310077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.310077 (E_RNA)
where:
Base-Base interactions energy: -25.571
where: short stacking energy: -27.071
Base-Backbone interact. energy: -0.101
local terms energy: -47.638345
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -7.635
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -0.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -76.142519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.142519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.142519 (E_RNA)
where:
Base-Base interactions energy: -32.878
where: short stacking energy: -30.771
Base-Backbone interact. energy: 0.143
local terms energy: -43.406985
where:
bonds (distance) C4'-P energy: -10.289
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -10.880
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -0.657
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: 2
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -222.699280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.699280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.699280 (E_RNA)
where:
Base-Base interactions energy: -143.487
where: short stacking energy: -66.997
Base-Backbone interact. energy: -0.019
local terms energy: -79.192621
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -21.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -221.946413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.946413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.946413 (E_RNA)
where:
Base-Base interactions energy: -140.426
where: short stacking energy: -71.388
Base-Backbone interact. energy: -1.690
local terms energy: -79.830888
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -18.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -180.060776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.060776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.060776 (E_RNA)
where:
Base-Base interactions energy: -111.667
where: short stacking energy: -60.553
Base-Backbone interact. energy: -0.807
local terms energy: -67.586383
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -8.475
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -13.912
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: 4, replica: 7
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -212.473262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.473262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.473262 (E_RNA)
where:
Base-Base interactions energy: -139.509
where: short stacking energy: -69.960
Base-Backbone interact. energy: -0.927
local terms energy: -72.037310
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -14.000
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -19.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -183.206315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.206315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.206315 (E_RNA)
where:
Base-Base interactions energy: -104.429
where: short stacking energy: -56.893
Base-Backbone interact. energy: -0.212
local terms energy: -78.565260
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -17.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -163.994801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.994801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.994801 (E_RNA)
where:
Base-Base interactions energy: -101.358
where: short stacking energy: -55.222
Base-Backbone interact. energy: -0.087
local terms energy: -62.549649
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -5.547
tors. eta vs tors. theta energy: -14.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -128.851627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.851627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.851627 (E_RNA)
where:
Base-Base interactions energy: -78.517
where: short stacking energy: -30.167
Base-Backbone interact. energy: -0.096
local terms energy: -50.238267
where:
bonds (distance) C4'-P energy: -7.255
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -10.664
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -7.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -86.747464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.747464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.747464 (E_RNA)
where:
Base-Base interactions energy: -39.355
where: short stacking energy: -39.355
Base-Backbone interact. energy: -0.144
local terms energy: -47.248231
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -5.528
tors. eta vs tors. theta energy: -3.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -108.738038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.738038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.738038 (E_RNA)
where:
Base-Base interactions energy: -61.298
where: short stacking energy: -33.497
Base-Backbone interact. energy: -0.121
local terms energy: -47.319029
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -11.213
flat angles C4'-P-C4' energy: -8.469
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -5.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -83.187504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.187504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.187504 (E_RNA)
where:
Base-Base interactions energy: -38.292
where: short stacking energy: -24.716
Base-Backbone interact. energy: -0.139
local terms energy: -44.756337
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -4.534
tors. eta vs tors. theta energy: 4.130
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: 71
Temperature: 0.900000
Total energy: -221.434503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.434503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.434503 (E_RNA)
where:
Base-Base interactions energy: -140.748
where: short stacking energy: -71.054
Base-Backbone interact. energy: -0.257
local terms energy: -80.429123
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -23.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -223.221820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.221820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.221820 (E_RNA)
where:
Base-Base interactions energy: -142.423
where: short stacking energy: -69.972
Base-Backbone interact. energy: -0.939
local terms energy: -79.860186
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -21.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -151.465826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.465826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.465826 (E_RNA)
where:
Base-Base interactions energy: -91.604
where: short stacking energy: -42.392
Base-Backbone interact. energy: -0.018
local terms energy: -59.843402
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -9.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -215.581960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.581960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.581960 (E_RNA)
where:
Base-Base interactions energy: -139.106
where: short stacking energy: -68.567
Base-Backbone interact. energy: -0.002
local terms energy: -76.473516
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -21.583
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: 71
Temperature: 1.100000
Total energy: -169.803563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.803563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.803563 (E_RNA)
where:
Base-Base interactions energy: -107.527
where: short stacking energy: -58.249
Base-Backbone interact. energy: -0.001
local terms energy: -62.275546
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -8.933
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: 5
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -165.603693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.603693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.603693 (E_RNA)
where:
Base-Base interactions energy: -104.543
where: short stacking energy: -54.655
Base-Backbone interact. energy: -0.786
local terms energy: -60.274544
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -6.958
tors. eta vs tors. theta energy: -13.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -126.716397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.716397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.716397 (E_RNA)
where:
Base-Base interactions energy: -81.638
where: short stacking energy: -38.201
Base-Backbone interact. energy: -0.134
local terms energy: -44.944776
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -12.252
flat angles C4'-P-C4' energy: -7.469
flat angles P-C4'-P energy: -6.234
tors. eta vs tors. theta energy: -5.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -112.735416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.735416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.735416 (E_RNA)
where:
Base-Base interactions energy: -66.896
where: short stacking energy: -38.504
Base-Backbone interact. energy: 0.779
local terms energy: -46.617778
where:
bonds (distance) C4'-P energy: -10.564
bonds (distance) P-C4' energy: -11.885
flat angles C4'-P-C4' energy: -6.802
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -9.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -88.719677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.719677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.719677 (E_RNA)
where:
Base-Base interactions energy: -38.281
where: short stacking energy: -37.812
Base-Backbone interact. energy: -0.430
local terms energy: -50.008921
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -10.258
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -5.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -72.779099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.779099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.779099 (E_RNA)
where:
Base-Base interactions energy: -25.468
where: short stacking energy: -23.594
Base-Backbone interact. energy: -0.304
local terms energy: -47.006640
where:
bonds (distance) C4'-P energy: -10.313
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: 3.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -223.942406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.942406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.942406 (E_RNA)
where:
Base-Base interactions energy: -151.812
where: short stacking energy: -67.133
Base-Backbone interact. energy: -0.013
local terms energy: -72.116725
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -14.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -222.650860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.650860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.650860 (E_RNA)
where:
Base-Base interactions energy: -148.083
where: short stacking energy: -71.740
Base-Backbone interact. energy: -0.007
local terms energy: -74.561437
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -20.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -213.259756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.259756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.259756 (E_RNA)
where:
Base-Base interactions energy: -135.719
where: short stacking energy: -59.497
Base-Backbone interact. energy: -0.268
local terms energy: -77.272708
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -19.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -164.336732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.336732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.336732 (E_RNA)
where:
Base-Base interactions energy: -97.672
where: short stacking energy: -38.718
Base-Backbone interact. energy: 1.095
local terms energy: -67.759662
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -16.042
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -8.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -187.412035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.412035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.412035 (E_RNA)
where:
Base-Base interactions energy: -112.285
where: short stacking energy: -60.196
Base-Backbone interact. energy: 0.132
local terms energy: -75.258778
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -18.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -156.860264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.860264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.860264 (E_RNA)
where:
Base-Base interactions energy: -90.595
where: short stacking energy: -51.971
Base-Backbone interact. energy: 0.820
local terms energy: -67.085284
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -16.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -156.228668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.228668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.228668 (E_RNA)
where:
Base-Base interactions energy: -91.025
where: short stacking energy: -41.137
Base-Backbone interact. energy: -0.301
local terms energy: -64.903210
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -6.471
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: 3
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -107.258990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.258990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.258990 (E_RNA)
where:
Base-Base interactions energy: -57.870
where: short stacking energy: -35.416
Base-Backbone interact. energy: -0.096
local terms energy: -49.293603
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -7.600
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: -6.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -85.179801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.179801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.179801 (E_RNA)
where:
Base-Base interactions energy: -34.749
where: short stacking energy: -29.369
Base-Backbone interact. energy: -0.087
local terms energy: -50.343987
where:
bonds (distance) C4'-P energy: -8.797
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -4.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -84.649606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.649606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.649606 (E_RNA)
where:
Base-Base interactions energy: -42.697
where: short stacking energy: -32.303
Base-Backbone interact. energy: -0.743
local terms energy: -41.208736
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -1.668
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: 8
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -227.030989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.030989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.030989 (E_RNA)
where:
Base-Base interactions energy: -154.243
where: short stacking energy: -70.535
Base-Backbone interact. energy: -0.460
local terms energy: -72.327291
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -17.537
flat angles P-C4'-P energy: -9.650
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: 2, replica: 7
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -217.614257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.614257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.614257 (E_RNA)
where:
Base-Base interactions energy: -142.321
where: short stacking energy: -57.589
Base-Backbone interact. energy: -1.041
local terms energy: -74.251978
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -19.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -211.536638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.536638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.536638 (E_RNA)
where:
Base-Base interactions energy: -144.106
where: short stacking energy: -64.416
Base-Backbone interact. energy: -0.007
local terms energy: -67.423802
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -6.535
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -19.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -184.462077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.462077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.462077 (E_RNA)
where:
Base-Base interactions energy: -114.322
where: short stacking energy: -48.540
Base-Backbone interact. energy: -0.123
local terms energy: -70.017035
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -11.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -163.240407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.240407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.240407 (E_RNA)
where:
Base-Base interactions energy: -96.484
where: short stacking energy: -52.094
Base-Backbone interact. energy: -0.047
local terms energy: -66.710069
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -5.847
tors. eta vs tors. theta energy: -13.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -134.242037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.242037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.242037 (E_RNA)
where:
Base-Base interactions energy: -72.857
where: short stacking energy: -44.745
Base-Backbone interact. energy: -0.679
local terms energy: -60.706073
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -8.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -117.066346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.066346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.066346 (E_RNA)
where:
Base-Base interactions energy: -59.720
where: short stacking energy: -30.279
Base-Backbone interact. energy: 1.723
local terms energy: -59.069315
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -2.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -96.694861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.694861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.694861 (E_RNA)
where:
Base-Base interactions energy: -45.576
where: short stacking energy: -45.576
Base-Backbone interact. energy: -0.093
local terms energy: -51.025824
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -10.566
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -7.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -90.640737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.640737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.640737 (E_RNA)
where:
Base-Base interactions energy: -37.461
where: short stacking energy: -34.463
Base-Backbone interact. energy: 0.521
local terms energy: -53.700106
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -3.283
tors. eta vs tors. theta energy: -7.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -82.592385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.592385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.592385 (E_RNA)
where:
Base-Base interactions energy: -35.734
where: short stacking energy: -28.479
Base-Backbone interact. energy: -1.607
local terms energy: -45.251243
where:
bonds (distance) C4'-P energy: -8.534
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -6.359
tors. eta vs tors. theta energy: -2.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -222.948590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.948590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.948590 (E_RNA)
where:
Base-Base interactions energy: -151.286
where: short stacking energy: -62.459
Base-Backbone interact. energy: -0.005
local terms energy: -71.657820
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -14.485
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -10.841
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: 2, replica: 7
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -219.008887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.008887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.008887 (E_RNA)
where:
Base-Base interactions energy: -144.746
where: short stacking energy: -56.254
Base-Backbone interact. energy: -1.631
local terms energy: -72.631673
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -19.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -185.736350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.736350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.736350 (E_RNA)
where:
Base-Base interactions energy: -118.142
where: short stacking energy: -63.932
Base-Backbone interact. energy: -0.140
local terms energy: -67.453872
where:
bonds (distance) C4'-P energy: -17.521
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -7.309
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: 4, replica: 2
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -200.563303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.563303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.563303 (E_RNA)
where:
Base-Base interactions energy: -132.330
where: short stacking energy: -61.727
Base-Backbone interact. energy: -0.098
local terms energy: -68.135019
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: -19.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -168.264143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.264143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.264143 (E_RNA)
where:
Base-Base interactions energy: -100.835
where: short stacking energy: -56.077
Base-Backbone interact. energy: -0.083
local terms energy: -67.346037
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -11.069
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: 6, replica: 10
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -119.603485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.603485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.603485 (E_RNA)
where:
Base-Base interactions energy: -61.355
where: short stacking energy: -24.434
Base-Backbone interact. energy: -0.119
local terms energy: -58.129076
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -4.790
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: 1
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -90.606380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.606380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.606380 (E_RNA)
where:
Base-Base interactions energy: -36.603
where: short stacking energy: -36.434
Base-Backbone interact. energy: 0.195
local terms energy: -54.197871
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -5.059
tors. eta vs tors. theta energy: -8.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -86.386525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.386525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.386525 (E_RNA)
where:
Base-Base interactions energy: -35.647
where: short stacking energy: -35.647
Base-Backbone interact. energy: -0.013
local terms energy: -50.726143
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: 0.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -81.681371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.681371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.681371 (E_RNA)
where:
Base-Base interactions energy: -34.514
where: short stacking energy: -25.455
Base-Backbone interact. energy: -0.202
local terms energy: -46.965047
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -7.525
tors. eta vs tors. theta energy: 0.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -78.244649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.244649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.244649 (E_RNA)
where:
Base-Base interactions energy: -32.501
where: short stacking energy: -24.162
Base-Backbone interact. energy: -0.133
local terms energy: -45.611062
where:
bonds (distance) C4'-P energy: -11.699
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -11.190
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: 0.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -216.157047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.157047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.157047 (E_RNA)
where:
Base-Base interactions energy: -144.607
where: short stacking energy: -59.080
Base-Backbone interact. energy: -0.705
local terms energy: -70.844919
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -15.396
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: 2, replica: 5
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -201.914164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.914164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.914164 (E_RNA)
where:
Base-Base interactions energy: -125.003
where: short stacking energy: -59.519
Base-Backbone interact. energy: -0.002
local terms energy: -76.909860
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -16.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -217.903593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.903593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.903593 (E_RNA)
where:
Base-Base interactions energy: -139.853
where: short stacking energy: -52.796
Base-Backbone interact. energy: 0.678
local terms energy: -78.729433
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -20.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -199.181697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.181697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.181697 (E_RNA)
where:
Base-Base interactions energy: -124.758
where: short stacking energy: -76.834
Base-Backbone interact. energy: -0.038
local terms energy: -74.385236
where:
bonds (distance) C4'-P energy: -10.824
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -21.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -193.593033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.593033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.593033 (E_RNA)
where:
Base-Base interactions energy: -133.340
where: short stacking energy: -58.964
Base-Backbone interact. energy: -0.050
local terms energy: -60.203439
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -10.008
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -12.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -137.445457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.445457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.445457 (E_RNA)
where:
Base-Base interactions energy: -82.406
where: short stacking energy: -44.210
Base-Backbone interact. energy: -0.757
local terms energy: -54.283072
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -4.914
tors. eta vs tors. theta energy: -4.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -91.256141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.256141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.256141 (E_RNA)
where:
Base-Base interactions energy: -32.653
where: short stacking energy: -25.848
Base-Backbone interact. energy: -0.044
local terms energy: -58.559634
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -5.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -91.934160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.934160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.934160 (E_RNA)
where:
Base-Base interactions energy: -50.403
where: short stacking energy: -39.369
Base-Backbone interact. energy: -0.156
local terms energy: -41.375579
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -7.701
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -2.747
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: 9, replica: 4
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -81.923119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.923119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.923119 (E_RNA)
where:
Base-Base interactions energy: -31.190
where: short stacking energy: -31.190
Base-Backbone interact. energy: 1.939
local terms energy: -52.672008
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -9.901
flat angles P-C4'-P energy: -6.825
tors. eta vs tors. theta energy: -5.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -78.868680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.868680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.868680 (E_RNA)
where:
Base-Base interactions energy: -40.835
where: short stacking energy: -28.678
Base-Backbone interact. energy: 1.707
local terms energy: -39.740794
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -5.746
flat angles P-C4'-P energy: -5.975
tors. eta vs tors. theta energy: -2.795
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: 8
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -223.850175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.850175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.850175 (E_RNA)
where:
Base-Base interactions energy: -150.387
where: short stacking energy: -63.111
Base-Backbone interact. energy: -0.381
local terms energy: -73.081980
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -17.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -188.182852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.182852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.182852 (E_RNA)
where:
Base-Base interactions energy: -113.486
where: short stacking energy: -57.917
Base-Backbone interact. energy: -0.007
local terms energy: -74.689918
where:
bonds (distance) C4'-P energy: -10.831
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -10.677
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: 3, replica: 9
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -203.932550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.932550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.932550 (E_RNA)
where:
Base-Base interactions energy: -124.063
where: short stacking energy: -72.635
Base-Backbone interact. energy: -0.350
local terms energy: -79.519414
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -20.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -195.594499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.594499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.594499 (E_RNA)
where:
Base-Base interactions energy: -128.050
where: short stacking energy: -58.128
Base-Backbone interact. energy: -0.013
local terms energy: -67.531388
where:
bonds (distance) C4'-P energy: -9.836
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -7.449
tors. eta vs tors. theta energy: -16.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -193.114308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.114308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.114308 (E_RNA)
where:
Base-Base interactions energy: -122.474
where: short stacking energy: -57.347
Base-Backbone interact. energy: -0.015
local terms energy: -70.625510
where:
bonds (distance) C4'-P energy: -11.541
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -9.144
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: 6, replica: 10
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -140.710711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.710711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.710711 (E_RNA)
where:
Base-Base interactions energy: -79.552
where: short stacking energy: -45.390
Base-Backbone interact. energy: -0.092
local terms energy: -61.066934
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -8.168
flat angles P-C4'-P energy: -5.465
tors. eta vs tors. theta energy: -14.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -93.637049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.637049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.637049 (E_RNA)
where:
Base-Base interactions energy: -39.188
where: short stacking energy: -32.904
Base-Backbone interact. energy: 1.321
local terms energy: -55.770317
where:
bonds (distance) C4'-P energy: -15.234
bonds (distance) P-C4' energy: -17.640
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -3.276
tors. eta vs tors. theta energy: -6.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -92.910603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.910603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.910603 (E_RNA)
where:
Base-Base interactions energy: -34.973
where: short stacking energy: -34.973
Base-Backbone interact. energy: 0.866
local terms energy: -58.803548
where:
bonds (distance) C4'-P energy: -10.726
bonds (distance) P-C4' energy: -18.258
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -2.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -82.875781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.875781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.875781 (E_RNA)
where:
Base-Base interactions energy: -24.031
where: short stacking energy: -24.031
Base-Backbone interact. energy: -0.082
local terms energy: -58.761972
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -2.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -88.175194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.175194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.175194 (E_RNA)
where:
Base-Base interactions energy: -34.353
where: short stacking energy: -33.992
Base-Backbone interact. energy: -0.536
local terms energy: -53.286321
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -2.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -224.532960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.532960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.532960 (E_RNA)
where:
Base-Base interactions energy: -150.794
where: short stacking energy: -61.851
Base-Backbone interact. energy: -0.707
local terms energy: -73.032843
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -18.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -195.196319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.196319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.196319 (E_RNA)
where:
Base-Base interactions energy: -129.471
where: short stacking energy: -66.439
Base-Backbone interact. energy: -0.021
local terms energy: -65.705039
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -3.911
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: 3, replica: 5
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -181.599837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.599837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.599837 (E_RNA)
where:
Base-Base interactions energy: -111.099
where: short stacking energy: -65.577
Base-Backbone interact. energy: -0.212
local terms energy: -70.288848
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -13.739
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -8.421
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: 4, replica: 2
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -176.191717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.191717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.191717 (E_RNA)
where:
Base-Base interactions energy: -114.886
where: short stacking energy: -46.983
Base-Backbone interact. energy: -0.188
local terms energy: -61.117769
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -11.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -200.579015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.579015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.579015 (E_RNA)
where:
Base-Base interactions energy: -127.996
where: short stacking energy: -61.129
Base-Backbone interact. energy: -0.002
local terms energy: -72.581615
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -19.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -149.054053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.054053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.054053 (E_RNA)
where:
Base-Base interactions energy: -94.923
where: short stacking energy: -46.222
Base-Backbone interact. energy: -0.165
local terms energy: -53.966354
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -4.024
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: 7, replica: 1
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -142.736738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.736738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.736738 (E_RNA)
where:
Base-Base interactions energy: -92.921
where: short stacking energy: -45.895
Base-Backbone interact. energy: -0.355
local terms energy: -49.460775
where:
bonds (distance) C4'-P energy: -8.086
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -6.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -112.259500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.259500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.259500 (E_RNA)
where:
Base-Base interactions energy: -67.095
where: short stacking energy: -38.483
Base-Backbone interact. energy: -0.678
local terms energy: -44.486956
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -8.915
flat angles P-C4'-P energy: -5.033
tors. eta vs tors. theta energy: -6.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -86.190439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.190439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.190439 (E_RNA)
where:
Base-Base interactions energy: -35.327
where: short stacking energy: -35.327
Base-Backbone interact. energy: -0.354
local terms energy: -50.509015
where:
bonds (distance) C4'-P energy: -10.753
bonds (distance) P-C4' energy: -8.851
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -7.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -77.036827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.036827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.036827 (E_RNA)
where:
Base-Base interactions energy: -27.092
where: short stacking energy: -25.725
Base-Backbone interact. energy: -0.173
local terms energy: -49.771937
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -5.264
tors. eta vs tors. theta energy: -4.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -222.320490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.320490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.320490 (E_RNA)
where:
Base-Base interactions energy: -147.829
where: short stacking energy: -62.517
Base-Backbone interact. energy: -0.066
local terms energy: -74.425304
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -18.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -183.518453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.518453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.518453 (E_RNA)
where:
Base-Base interactions energy: -118.321
where: short stacking energy: -66.698
Base-Backbone interact. energy: -0.534
local terms energy: -64.664317
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -12.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -173.810307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.810307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.810307 (E_RNA)
where:
Base-Base interactions energy: -105.258
where: short stacking energy: -53.114
Base-Backbone interact. energy: -0.544
local terms energy: -68.008126
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -10.497
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: 4, replica: 5
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -165.141757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.141757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.141757 (E_RNA)
where:
Base-Base interactions energy: -102.872
where: short stacking energy: -58.410
Base-Backbone interact. energy: -0.024
local terms energy: -62.245643
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: -15.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -167.827815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.827815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.827815 (E_RNA)
where:
Base-Base interactions energy: -107.201
where: short stacking energy: -62.575
Base-Backbone interact. energy: -0.080
local terms energy: -60.547726
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -6.070
tors. eta vs tors. theta energy: -10.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -156.276244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.276244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.276244 (E_RNA)
where:
Base-Base interactions energy: -88.103
where: short stacking energy: -51.071
Base-Backbone interact. energy: -0.091
local terms energy: -68.082307
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -14.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -108.561701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.561701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.561701 (E_RNA)
where:
Base-Base interactions energy: -55.982
where: short stacking energy: -31.172
Base-Backbone interact. energy: -0.306
local terms energy: -52.273648
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -9.824
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -4.475
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: 1
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -127.593360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.593360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.593360 (E_RNA)
where:
Base-Base interactions energy: -68.426
where: short stacking energy: -36.084
Base-Backbone interact. energy: -0.247
local terms energy: -58.920755
where:
bonds (distance) C4'-P energy: -12.917
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -5.030
tors. eta vs tors. theta energy: -9.343
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: 4
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -76.122849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.122849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.122849 (E_RNA)
where:
Base-Base interactions energy: -24.583
where: short stacking energy: -24.583
Base-Backbone interact. energy: 0.014
local terms energy: -51.554084
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -12.733
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: 0.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -82.888286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.888286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.888286 (E_RNA)
where:
Base-Base interactions energy: -28.415
where: short stacking energy: -25.609
Base-Backbone interact. energy: 1.551
local terms energy: -56.024045
where:
bonds (distance) C4'-P energy: -9.384
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -7.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -223.752393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.752393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.752393 (E_RNA)
where:
Base-Base interactions energy: -144.715
where: short stacking energy: -75.776
Base-Backbone interact. energy: -0.083
local terms energy: -78.954355
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -22.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -177.509474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.509474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.509474 (E_RNA)
where:
Base-Base interactions energy: -104.862
where: short stacking energy: -55.961
Base-Backbone interact. energy: -0.002
local terms energy: -72.644784
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -15.959
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -10.944
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: 9
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -178.635633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.635633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.635633 (E_RNA)
where:
Base-Base interactions energy: -109.527
where: short stacking energy: -60.438
Base-Backbone interact. energy: -0.413
local terms energy: -68.695525
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -11.625
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -16.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -155.889864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.889864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.889864 (E_RNA)
where:
Base-Base interactions energy: -88.587
where: short stacking energy: -49.768
Base-Backbone interact. energy: -0.002
local terms energy: -67.300549
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -11.013
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: 5
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -165.396589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.396589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.396589 (E_RNA)
where:
Base-Base interactions energy: -98.983
where: short stacking energy: -50.903
Base-Backbone interact. energy: -0.309
local terms energy: -66.104587
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -11.404
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -10.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -115.224140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.224140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.224140 (E_RNA)
where:
Base-Base interactions energy: -64.358
where: short stacking energy: -31.488
Base-Backbone interact. energy: -0.773
local terms energy: -50.093405
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -11.663
flat angles P-C4'-P energy: -6.624
tors. eta vs tors. theta energy: -1.849
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: 79
Temperature: 1.200000
Total energy: -161.483068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.483068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.483068 (E_RNA)
where:
Base-Base interactions energy: -102.316
where: short stacking energy: -53.459
Base-Backbone interact. energy: -0.212
local terms energy: -58.954445
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -11.610
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -11.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -135.376254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.376254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.376254 (E_RNA)
where:
Base-Base interactions energy: -77.370
where: short stacking energy: -44.744
Base-Backbone interact. energy: -0.044
local terms energy: -57.961877
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -12.861
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -4.459
tors. eta vs tors. theta energy: -12.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -87.025241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.025241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.025241 (E_RNA)
where:
Base-Base interactions energy: -40.768
where: short stacking energy: -30.304
Base-Backbone interact. energy: -0.074
local terms energy: -46.183596
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -10.514
flat angles P-C4'-P energy: -7.761
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: 10, replica: 6
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -86.596301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.596301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.596301 (E_RNA)
where:
Base-Base interactions energy: -34.155
where: short stacking energy: -21.555
Base-Backbone interact. energy: 0.455
local terms energy: -52.897153
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -8.707
flat angles P-C4'-P energy: -6.914
tors. eta vs tors. theta energy: -6.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -230.120687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.120687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.120687 (E_RNA)
where:
Base-Base interactions energy: -152.799
where: short stacking energy: -75.548
Base-Backbone interact. energy: -0.002
local terms energy: -77.320013
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -21.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -177.336366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.336366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.336366 (E_RNA)
where:
Base-Base interactions energy: -113.166
where: short stacking energy: -51.251
Base-Backbone interact. energy: -0.132
local terms energy: -64.038180
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -8.541
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: 3, replica: 10
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -167.062403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.062403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.062403 (E_RNA)
where:
Base-Base interactions energy: -102.530
where: short stacking energy: -60.695
Base-Backbone interact. energy: -0.384
local terms energy: -64.148384
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -11.142
flat angles C4'-P-C4' energy: -10.863
flat angles P-C4'-P energy: -10.399
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: 4, replica: 9
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -165.270273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.270273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.270273 (E_RNA)
where:
Base-Base interactions energy: -94.839
where: short stacking energy: -51.545
Base-Backbone interact. energy: -0.071
local terms energy: -70.360073
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -9.676
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: 5, replica: 5
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -174.881965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.881965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.881965 (E_RNA)
where:
Base-Base interactions energy: -114.389
where: short stacking energy: -59.155
Base-Backbone interact. energy: -0.071
local terms energy: -60.421701
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -12.446
flat angles P-C4'-P energy: -5.886
tors. eta vs tors. theta energy: -14.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -140.110753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.110753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.110753 (E_RNA)
where:
Base-Base interactions energy: -87.266
where: short stacking energy: -42.093
Base-Backbone interact. energy: -0.045
local terms energy: -52.799269
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -2.347
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: 7, replica: 1
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -152.176331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.176331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.176331 (E_RNA)
where:
Base-Base interactions energy: -92.172
where: short stacking energy: -41.887
Base-Backbone interact. energy: -0.186
local terms energy: -59.818680
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -10.110
flat angles P-C4'-P energy: -9.900
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: 8, replica: 7
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -153.400438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.400438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.400438 (E_RNA)
where:
Base-Base interactions energy: -93.251
where: short stacking energy: -49.354
Base-Backbone interact. energy: 0.868
local terms energy: -61.018204
where:
bonds (distance) C4'-P energy: -6.883
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -13.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -78.422757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.422757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.422757 (E_RNA)
where:
Base-Base interactions energy: -37.788
where: short stacking energy: -28.662
Base-Backbone interact. energy: 0.282
local terms energy: -40.917151
where:
bonds (distance) C4'-P energy: -9.090
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -6.163
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -3.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -85.237470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.237470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.237470 (E_RNA)
where:
Base-Base interactions energy: -38.018
where: short stacking energy: -36.039
Base-Backbone interact. energy: -0.200
local terms energy: -47.019406
where:
bonds (distance) C4'-P energy: -7.061
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -4.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -226.225021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.225021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.225021 (E_RNA)
where:
Base-Base interactions energy: -141.818
where: short stacking energy: -60.255
Base-Backbone interact. energy: -2.011
local terms energy: -82.395464
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -21.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -207.237703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.237703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.237703 (E_RNA)
where:
Base-Base interactions energy: -131.358
where: short stacking energy: -59.612
Base-Backbone interact. energy: -1.197
local terms energy: -74.682617
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -11.242
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -11.093
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: 3, replica: 10
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -177.100333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.100333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.100333 (E_RNA)
where:
Base-Base interactions energy: -106.827
where: short stacking energy: -61.412
Base-Backbone interact. energy: -0.007
local terms energy: -70.267063
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -16.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -168.988881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.988881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.988881 (E_RNA)
where:
Base-Base interactions energy: -100.690
where: short stacking energy: -57.702
Base-Backbone interact. energy: -0.088
local terms energy: -68.211503
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -11.158
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -9.427
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: 5, replica: 9
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -183.800347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.800347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.800347 (E_RNA)
where:
Base-Base interactions energy: -121.931
where: short stacking energy: -65.979
Base-Backbone interact. energy: -0.010
local terms energy: -61.858816
where:
bonds (distance) C4'-P energy: -9.922
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: -14.201
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: 1
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -144.137100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.137100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.137100 (E_RNA)
where:
Base-Base interactions energy: -92.304
where: short stacking energy: -51.092
Base-Backbone interact. energy: -0.729
local terms energy: -51.104193
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -9.308
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -6.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -150.398432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.398432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.398432 (E_RNA)
where:
Base-Base interactions energy: -93.041
where: short stacking energy: -46.901
Base-Backbone interact. energy: -0.075
local terms energy: -57.283228
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -2.720
tors. eta vs tors. theta energy: -11.542
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: 8, replica: 4
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -89.078595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.078595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.078595 (E_RNA)
where:
Base-Base interactions energy: -36.287
where: short stacking energy: -36.287
Base-Backbone interact. energy: -0.028
local terms energy: -52.763355
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -13.576
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -8.962
tors. eta vs tors. theta energy: -3.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -126.541772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.541772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.541772 (E_RNA)
where:
Base-Base interactions energy: -81.098
where: short stacking energy: -31.437
Base-Backbone interact. energy: -0.812
local terms energy: -44.632216
where:
bonds (distance) C4'-P energy: -7.235
bonds (distance) P-C4' energy: -12.049
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -7.737
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: 10, replica: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -78.425408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.425408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.425408 (E_RNA)
where:
Base-Base interactions energy: -29.839
where: short stacking energy: -24.939
Base-Backbone interact. energy: -0.688
local terms energy: -47.898553
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -10.214
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -5.215
tors. eta vs tors. theta energy: -1.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -219.306404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.306404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.306404 (E_RNA)
where:
Base-Base interactions energy: -142.883
where: short stacking energy: -57.075
Base-Backbone interact. energy: -0.003
local terms energy: -76.420594
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -6.298
tors. eta vs tors. theta energy: -20.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -226.785384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.785384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.785384 (E_RNA)
where:
Base-Base interactions energy: -146.304
where: short stacking energy: -70.956
Base-Backbone interact. energy: -0.273
local terms energy: -80.208160
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -19.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -179.169157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.169157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.169157 (E_RNA)
where:
Base-Base interactions energy: -115.744
where: short stacking energy: -58.558
Base-Backbone interact. energy: -0.192
local terms energy: -63.233667
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -12.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -188.546766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.546766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.546766 (E_RNA)
where:
Base-Base interactions energy: -106.568
where: short stacking energy: -62.461
Base-Backbone interact. energy: -1.548
local terms energy: -80.430887
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -21.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -168.317837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.317837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.317837 (E_RNA)
where:
Base-Base interactions energy: -109.305
where: short stacking energy: -44.719
Base-Backbone interact. energy: -0.681
local terms energy: -58.331554
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -10.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -149.141795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.141795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.141795 (E_RNA)
where:
Base-Base interactions energy: -88.102
where: short stacking energy: -47.050
Base-Backbone interact. energy: 0.138
local terms energy: -61.177626
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -10.814
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -10.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -127.331368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.331368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.331368 (E_RNA)
where:
Base-Base interactions energy: -76.382
where: short stacking energy: -38.956
Base-Backbone interact. energy: -0.211
local terms energy: -50.738624
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -7.980
flat angles P-C4'-P energy: -5.135
tors. eta vs tors. theta energy: -9.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -86.787243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.787243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.787243 (E_RNA)
where:
Base-Base interactions energy: -32.482
where: short stacking energy: -30.300
Base-Backbone interact. energy: -0.128
local terms energy: -54.176656
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -5.177
tors. eta vs tors. theta energy: 0.087
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: 7
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -143.396174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.396174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.396174 (E_RNA)
where:
Base-Base interactions energy: -88.460
where: short stacking energy: -47.373
Base-Backbone interact. energy: -0.217
local terms energy: -54.719799
where:
bonds (distance) C4'-P energy: -8.734
bonds (distance) P-C4' energy: -8.797
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -11.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -83.574648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.574648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.574648 (E_RNA)
where:
Base-Base interactions energy: -30.992
where: short stacking energy: -30.992
Base-Backbone interact. energy: -0.015
local terms energy: -52.568046
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -10.783
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -2.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -230.625621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.625621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.625621 (E_RNA)
where:
Base-Base interactions energy: -153.589
where: short stacking energy: -58.182
Base-Backbone interact. energy: -0.723
local terms energy: -76.313223
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -18.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -223.838785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.838785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.838785 (E_RNA)
where:
Base-Base interactions energy: -145.910
where: short stacking energy: -69.799
Base-Backbone interact. energy: -0.003
local terms energy: -77.925704
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -20.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -185.104053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.104053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.104053 (E_RNA)
where:
Base-Base interactions energy: -116.188
where: short stacking energy: -62.535
Base-Backbone interact. energy: -0.030
local terms energy: -68.885569
where:
bonds (distance) C4'-P energy: -8.099
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -20.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -158.321366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.321366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.321366 (E_RNA)
where:
Base-Base interactions energy: -100.683
where: short stacking energy: -49.945
Base-Backbone interact. energy: -0.295
local terms energy: -57.343919
where:
bonds (distance) C4'-P energy: -5.400
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -13.066
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: 5, replica: 10
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -164.612437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.612437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.612437 (E_RNA)
where:
Base-Base interactions energy: -100.288
where: short stacking energy: -54.044
Base-Backbone interact. energy: -0.451
local terms energy: -63.872988
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -5.229
tors. eta vs tors. theta energy: -10.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -142.018019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.018019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.018019 (E_RNA)
where:
Base-Base interactions energy: -85.644
where: short stacking energy: -44.944
Base-Backbone interact. energy: -0.904
local terms energy: -55.469725
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -8.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -111.037794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.037794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.037794 (E_RNA)
where:
Base-Base interactions energy: -62.415
where: short stacking energy: -37.648
Base-Backbone interact. energy: -0.425
local terms energy: -48.197151
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -12.164
flat angles C4'-P-C4' energy: -7.529
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -2.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -140.168132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.168132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.168132 (E_RNA)
where:
Base-Base interactions energy: -85.541
where: short stacking energy: -48.097
Base-Backbone interact. energy: -0.244
local terms energy: -54.383522
where:
bonds (distance) C4'-P energy: -10.313
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -4.231
tors. eta vs tors. theta energy: -11.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -83.670636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.670636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.670636 (E_RNA)
where:
Base-Base interactions energy: -31.489
where: short stacking energy: -31.589
Base-Backbone interact. energy: 0.378
local terms energy: -52.559292
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -9.663
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -2.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -74.256846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.256846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.256846 (E_RNA)
where:
Base-Base interactions energy: -35.477
where: short stacking energy: -21.576
Base-Backbone interact. energy: -0.082
local terms energy: -38.697386
where:
bonds (distance) C4'-P energy: -11.377
bonds (distance) P-C4' energy: -10.264
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -6.126
tors. eta vs tors. theta energy: 4.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -229.590783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.590783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.590783 (E_RNA)
where:
Base-Base interactions energy: -147.914
where: short stacking energy: -73.829
Base-Backbone interact. energy: -0.451
local terms energy: -81.226047
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -13.634
tors. eta vs tors. theta energy: -22.494
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: 2
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -223.575258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.575258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.575258 (E_RNA)
where:
Base-Base interactions energy: -141.396
where: short stacking energy: -64.504
Base-Backbone interact. energy: -0.622
local terms energy: -81.558008
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: -21.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -171.449449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.449449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.449449 (E_RNA)
where:
Base-Base interactions energy: -103.698
where: short stacking energy: -58.395
Base-Backbone interact. energy: -0.015
local terms energy: -67.736170
where:
bonds (distance) C4'-P energy: -9.256
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -16.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -195.165653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.165653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.165653 (E_RNA)
where:
Base-Base interactions energy: -125.445
where: short stacking energy: -65.765
Base-Backbone interact. energy: 1.168
local terms energy: -70.889205
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -21.121
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: 1
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -173.099813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.099813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.099813 (E_RNA)
where:
Base-Base interactions energy: -105.246
where: short stacking energy: -53.945
Base-Backbone interact. energy: -0.010
local terms energy: -67.843971
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -9.375
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -17.413
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: 10
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -165.699757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.699757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.699757 (E_RNA)
where:
Base-Base interactions energy: -94.769
where: short stacking energy: -52.077
Base-Backbone interact. energy: -0.059
local terms energy: -70.871733
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -16.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -149.903525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.903525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.903525 (E_RNA)
where:
Base-Base interactions energy: -89.845
where: short stacking energy: -44.375
Base-Backbone interact. energy: -0.108
local terms energy: -59.950480
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -12.424
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: 8, replica: 3
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -87.803839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.803839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.803839 (E_RNA)
where:
Base-Base interactions energy: -34.869
where: short stacking energy: -31.817
Base-Backbone interact. energy: 0.163
local terms energy: -53.098170
where:
bonds (distance) C4'-P energy: -8.319
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -6.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -84.847692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.847692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.847692 (E_RNA)
where:
Base-Base interactions energy: -35.114
where: short stacking energy: -22.557
Base-Backbone interact. energy: 0.029
local terms energy: -49.763369
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -7.936
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -4.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -75.297942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.297942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.297942 (E_RNA)
where:
Base-Base interactions energy: -28.973
where: short stacking energy: -20.494
Base-Backbone interact. energy: -0.099
local terms energy: -46.226675
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -9.388
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -4.045
tors. eta vs tors. theta energy: -5.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -215.380914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.380914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.380914 (E_RNA)
where:
Base-Base interactions energy: -139.218
where: short stacking energy: -62.063
Base-Backbone interact. energy: -0.409
local terms energy: -75.754366
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -19.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -224.175682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.175682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.175682 (E_RNA)
where:
Base-Base interactions energy: -149.171
where: short stacking energy: -72.195
Base-Backbone interact. energy: -0.000
local terms energy: -75.004613
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -5.276
tors. eta vs tors. theta energy: -22.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -169.960060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.960060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.960060 (E_RNA)
where:
Base-Base interactions energy: -109.686
where: short stacking energy: -49.027
Base-Backbone interact. energy: -2.251
local terms energy: -58.022821
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -6.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -168.241049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.241049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.241049 (E_RNA)
where:
Base-Base interactions energy: -101.143
where: short stacking energy: -48.225
Base-Backbone interact. energy: -0.992
local terms energy: -66.105674
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -9.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -157.362791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.362791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.362791 (E_RNA)
where:
Base-Base interactions energy: -95.125
where: short stacking energy: -50.838
Base-Backbone interact. energy: -0.338
local terms energy: -61.899792
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -5.309
tors. eta vs tors. theta energy: -9.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -172.235024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.235024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.235024 (E_RNA)
where:
Base-Base interactions energy: -106.310
where: short stacking energy: -57.458
Base-Backbone interact. energy: -0.566
local terms energy: -65.359503
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: -15.218
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: 85
Temperature: 1.200000
Total energy: -160.356644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.356644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.356644 (E_RNA)
where:
Base-Base interactions energy: -98.327
where: short stacking energy: -52.953
Base-Backbone interact. energy: -0.596
local terms energy: -61.434109
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -10.321
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -12.538
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: 8, replica: 6
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -90.769224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.769224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.769224 (E_RNA)
where:
Base-Base interactions energy: -42.746
where: short stacking energy: -23.936
Base-Backbone interact. energy: -0.150
local terms energy: -47.872529
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -9.407
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: 3.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -101.436765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.436765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.436765 (E_RNA)
where:
Base-Base interactions energy: -53.078
where: short stacking energy: -24.152
Base-Backbone interact. energy: -0.317
local terms energy: -48.042088
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -10.552
flat angles P-C4'-P energy: -4.482
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: 10, replica: 4
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -84.129985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.129985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.129985 (E_RNA)
where:
Base-Base interactions energy: -32.917
where: short stacking energy: -21.241
Base-Backbone interact. energy: -0.043
local terms energy: -51.169874
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -2.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -221.297406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.297406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.297406 (E_RNA)
where:
Base-Base interactions energy: -145.209
where: short stacking energy: -64.983
Base-Backbone interact. energy: -0.042
local terms energy: -76.045955
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -18.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -213.555274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.555274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.555274 (E_RNA)
where:
Base-Base interactions energy: -145.745
where: short stacking energy: -59.474
Base-Backbone interact. energy: -0.009
local terms energy: -67.800930
where:
bonds (distance) C4'-P energy: -10.270
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -18.439
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: 3, replica: 9
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -173.236534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.236534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.236534 (E_RNA)
where:
Base-Base interactions energy: -111.549
where: short stacking energy: -41.213
Base-Backbone interact. energy: -0.902
local terms energy: -60.786276
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: -5.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -159.628997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.628997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.628997 (E_RNA)
where:
Base-Base interactions energy: -99.622
where: short stacking energy: -55.366
Base-Backbone interact. energy: -0.006
local terms energy: -60.000695
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -12.568
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -4.194
tors. eta vs tors. theta energy: -15.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -177.282114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.282114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.282114 (E_RNA)
where:
Base-Base interactions energy: -108.489
where: short stacking energy: -55.633
Base-Backbone interact. energy: -0.008
local terms energy: -68.785943
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -15.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -153.466061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.466061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.466061 (E_RNA)
where:
Base-Base interactions energy: -93.126
where: short stacking energy: -53.030
Base-Backbone interact. energy: -0.244
local terms energy: -60.096686
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -7.185
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: 86
Temperature: 1.200000
Total energy: -148.509069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.509069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.509069 (E_RNA)
where:
Base-Base interactions energy: -90.154
where: short stacking energy: -49.138
Base-Backbone interact. energy: -0.020
local terms energy: -58.335174
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -9.872
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: 8, replica: 6
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -119.728797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.728797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.728797 (E_RNA)
where:
Base-Base interactions energy: -66.166
where: short stacking energy: -29.565
Base-Backbone interact. energy: -0.274
local terms energy: -53.288622
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -8.035
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -6.352
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: 4
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -98.311353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.311353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.311353 (E_RNA)
where:
Base-Base interactions energy: -39.442
where: short stacking energy: -39.442
Base-Backbone interact. energy: -0.089
local terms energy: -58.779736
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -6.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -73.368605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.368605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.368605 (E_RNA)
where:
Base-Base interactions energy: -33.346
where: short stacking energy: -23.587
Base-Backbone interact. energy: -0.764
local terms energy: -39.259049
where:
bonds (distance) C4'-P energy: -9.896
bonds (distance) P-C4' energy: -11.850
flat angles C4'-P-C4' energy: -9.035
flat angles P-C4'-P energy: -5.329
tors. eta vs tors. theta energy: -3.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -230.234435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.234435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.234435 (E_RNA)
where:
Base-Base interactions energy: -158.879
where: short stacking energy: -60.701
Base-Backbone interact. energy: -0.248
local terms energy: -71.107951
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: -16.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -219.160512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.160512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.160512 (E_RNA)
where:
Base-Base interactions energy: -147.401
where: short stacking energy: -62.306
Base-Backbone interact. energy: -0.022
local terms energy: -71.738041
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -6.560
tors. eta vs tors. theta energy: -17.315
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: 9
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -192.548440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.548440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.548440 (E_RNA)
where:
Base-Base interactions energy: -120.385
where: short stacking energy: -64.669
Base-Backbone interact. energy: -0.078
local terms energy: -72.085374
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -19.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -193.613203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.613203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.613203 (E_RNA)
where:
Base-Base interactions energy: -120.291
where: short stacking energy: -71.188
Base-Backbone interact. energy: -0.007
local terms energy: -73.314642
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -12.181
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -17.759
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: 5, replica: 1
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -185.672692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.672692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.672692 (E_RNA)
where:
Base-Base interactions energy: -119.848
where: short stacking energy: -63.003
Base-Backbone interact. energy: -0.514
local terms energy: -65.310504
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -12.039
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -8.946
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: 6, replica: 7
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -149.256038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.256038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.256038 (E_RNA)
where:
Base-Base interactions energy: -86.215
where: short stacking energy: -50.175
Base-Backbone interact. energy: -0.134
local terms energy: -62.907160
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -11.405
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: 7, replica: 5
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -128.644582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.644582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.644582 (E_RNA)
where:
Base-Base interactions energy: -72.797
where: short stacking energy: -31.827
Base-Backbone interact. energy: -0.134
local terms energy: -55.713751
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -9.955
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -5.526
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: 6
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -129.256004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.256004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.256004 (E_RNA)
where:
Base-Base interactions energy: -74.010
where: short stacking energy: -34.249
Base-Backbone interact. energy: 0.036
local terms energy: -55.282188
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -10.937
flat angles P-C4'-P energy: -7.429
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: 4
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -88.199980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.199980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.199980 (E_RNA)
where:
Base-Base interactions energy: -33.202
where: short stacking energy: -31.397
Base-Backbone interact. energy: -0.118
local terms energy: -54.880270
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -6.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -94.299564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.299564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.299564 (E_RNA)
where:
Base-Base interactions energy: -44.000
where: short stacking energy: -36.169
Base-Backbone interact. energy: -0.140
local terms energy: -50.159300
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -2.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -226.287834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.287834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.287834 (E_RNA)
where:
Base-Base interactions energy: -146.775
where: short stacking energy: -59.113
Base-Backbone interact. energy: -0.467
local terms energy: -79.045754
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -17.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -214.762863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.762863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.762863 (E_RNA)
where:
Base-Base interactions energy: -144.249
where: short stacking energy: -63.999
Base-Backbone interact. energy: -0.010
local terms energy: -70.503426
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -9.380
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: 3, replica: 9
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -200.588095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.588095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.588095 (E_RNA)
where:
Base-Base interactions energy: -125.557
where: short stacking energy: -67.354
Base-Backbone interact. energy: -0.389
local terms energy: -74.641895
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -19.169
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: 4, replica: 10
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -186.999817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.999817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.999817 (E_RNA)
where:
Base-Base interactions energy: -125.155
where: short stacking energy: -52.666
Base-Backbone interact. energy: -0.204
local terms energy: -61.640177
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -13.192
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -14.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -177.104298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.104298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.104298 (E_RNA)
where:
Base-Base interactions energy: -111.930
where: short stacking energy: -64.928
Base-Backbone interact. energy: -0.254
local terms energy: -64.920032
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -6.817
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -15.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -158.555923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.555923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.555923 (E_RNA)
where:
Base-Base interactions energy: -93.738
where: short stacking energy: -50.970
Base-Backbone interact. energy: -0.047
local terms energy: -64.771284
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -12.256
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -13.156
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: 7, replica: 5
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -160.336499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.336499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.336499 (E_RNA)
where:
Base-Base interactions energy: -96.421
where: short stacking energy: -43.125
Base-Backbone interact. energy: -0.065
local terms energy: -63.849889
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -8.939
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: 8, replica: 6
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -125.648489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.648489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.648489 (E_RNA)
where:
Base-Base interactions energy: -79.871
where: short stacking energy: -34.516
Base-Backbone interact. energy: -0.847
local terms energy: -44.930513
where:
bonds (distance) C4'-P energy: -9.523
bonds (distance) P-C4' energy: -15.189
flat angles C4'-P-C4' energy: -8.849
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -2.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -96.761467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.761467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.761467 (E_RNA)
where:
Base-Base interactions energy: -45.849
where: short stacking energy: -40.518
Base-Backbone interact. energy: -0.016
local terms energy: -50.896475
where:
bonds (distance) C4'-P energy: -7.496
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -10.779
flat angles P-C4'-P energy: -5.856
tors. eta vs tors. theta energy: -13.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -68.113430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.113430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.113430 (E_RNA)
where:
Base-Base interactions energy: -25.535
where: short stacking energy: -25.528
Base-Backbone interact. energy: -0.210
local terms energy: -42.368451
where:
bonds (distance) C4'-P energy: -8.405
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -2.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -232.079914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.079914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.079914 (E_RNA)
where:
Base-Base interactions energy: -155.071
where: short stacking energy: -63.865
Base-Backbone interact. energy: -0.383
local terms energy: -76.625640
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -18.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -219.496445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.496445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.496445 (E_RNA)
where:
Base-Base interactions energy: -147.607
where: short stacking energy: -62.374
Base-Backbone interact. energy: -0.010
local terms energy: -71.878884
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -17.629
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -16.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -188.995811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.995811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.995811 (E_RNA)
where:
Base-Base interactions energy: -119.019
where: short stacking energy: -60.770
Base-Backbone interact. energy: -1.378
local terms energy: -68.598788
where:
bonds (distance) C4'-P energy: -13.562
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -13.060
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: 4, replica: 1
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -191.169756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.169756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.169756 (E_RNA)
where:
Base-Base interactions energy: -118.852
where: short stacking energy: -62.037
Base-Backbone interact. energy: -0.627
local terms energy: -71.690772
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -17.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -163.276948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.276948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.276948 (E_RNA)
where:
Base-Base interactions energy: -101.356
where: short stacking energy: -54.339
Base-Backbone interact. energy: 1.011
local terms energy: -62.931201
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -13.386
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -12.881
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: 6, replica: 5
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -170.771700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.771700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.771700 (E_RNA)
where:
Base-Base interactions energy: -112.577
where: short stacking energy: -52.155
Base-Backbone interact. energy: -0.725
local terms energy: -57.469875
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -3.374
tors. eta vs tors. theta energy: -12.966
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: 89
Temperature: 1.200000
Total energy: -144.716237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.716237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.716237 (E_RNA)
where:
Base-Base interactions energy: -86.203
where: short stacking energy: -42.298
Base-Backbone interact. energy: -0.059
local terms energy: -58.453645
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -6.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -144.123524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.123524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.123524 (E_RNA)
where:
Base-Base interactions energy: -86.025
where: short stacking energy: -41.170
Base-Backbone interact. energy: -0.386
local terms energy: -57.712338
where:
bonds (distance) C4'-P energy: -7.710
bonds (distance) P-C4' energy: -12.941
flat angles C4'-P-C4' energy: -17.884
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -10.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -79.542410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.542410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.542410 (E_RNA)
where:
Base-Base interactions energy: -31.410
where: short stacking energy: -30.226
Base-Backbone interact. energy: -0.055
local terms energy: -48.077888
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -5.482
tors. eta vs tors. theta energy: -2.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -78.420838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.420838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.420838 (E_RNA)
where:
Base-Base interactions energy: -27.035
where: short stacking energy: -27.035
Base-Backbone interact. energy: -0.432
local terms energy: -50.954187
where:
bonds (distance) C4'-P energy: -7.540
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -0.295
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: 2
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -219.339127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.339127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.339127 (E_RNA)
where:
Base-Base interactions energy: -146.660
where: short stacking energy: -66.505
Base-Backbone interact. energy: -0.007
local terms energy: -72.672323
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -12.132
tors. eta vs tors. theta energy: -15.482
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: 8
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -215.538313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.538313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.538313 (E_RNA)
where:
Base-Base interactions energy: -145.956
where: short stacking energy: -65.791
Base-Backbone interact. energy: -0.142
local terms energy: -69.441039
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -4.511
tors. eta vs tors. theta energy: -21.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -187.057550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.057550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.057550 (E_RNA)
where:
Base-Base interactions energy: -119.428
where: short stacking energy: -64.241
Base-Backbone interact. energy: -0.117
local terms energy: -67.513222
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -11.925
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: 90
Temperature: 1.050000
Total energy: -180.519257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.519257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.519257 (E_RNA)
where:
Base-Base interactions energy: -116.518
where: short stacking energy: -63.310
Base-Backbone interact. energy: -0.455
local terms energy: -63.545691
where:
bonds (distance) C4'-P energy: -9.556
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -13.398
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: 10
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -168.901528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.901528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.901528 (E_RNA)
where:
Base-Base interactions energy: -104.869
where: short stacking energy: -48.249
Base-Backbone interact. energy: -0.177
local terms energy: -63.855214
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -5.775
tors. eta vs tors. theta energy: -11.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -157.923199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.923199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.923199 (E_RNA)
where:
Base-Base interactions energy: -96.673
where: short stacking energy: -49.179
Base-Backbone interact. energy: -1.533
local terms energy: -59.717647
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -4.842
tors. eta vs tors. theta energy: -10.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -159.196332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.196332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.196332 (E_RNA)
where:
Base-Base interactions energy: -99.862
where: short stacking energy: -54.720
Base-Backbone interact. energy: -0.524
local terms energy: -58.810689
where:
bonds (distance) C4'-P energy: -8.734
bonds (distance) P-C4' energy: -9.209
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -15.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -136.152267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.152267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.152267 (E_RNA)
where:
Base-Base interactions energy: -81.902
where: short stacking energy: -40.811
Base-Backbone interact. energy: -0.020
local terms energy: -54.230446
where:
bonds (distance) C4'-P energy: -6.371
bonds (distance) P-C4' energy: -13.288
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -9.765
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: 4
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -83.365410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.365410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.365410 (E_RNA)
where:
Base-Base interactions energy: -44.978
where: short stacking energy: -23.997
Base-Backbone interact. energy: -0.110
local terms energy: -38.277826
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -10.854
flat angles P-C4'-P energy: 1.342
tors. eta vs tors. theta energy: 0.117
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: 90
Temperature: 1.350000
Total energy: -75.071070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.071070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.071070 (E_RNA)
where:
Base-Base interactions energy: -30.537
where: short stacking energy: -30.537
Base-Backbone interact. energy: 0.174
local terms energy: -44.708020
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -10.403
flat angles C4'-P-C4' energy: -8.800
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -5.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -231.395063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.395063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.395063 (E_RNA)
where:
Base-Base interactions energy: -149.969
where: short stacking energy: -70.955
Base-Backbone interact. energy: -0.007
local terms energy: -81.418850
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -20.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -211.433479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.433479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.433479 (E_RNA)
where:
Base-Base interactions energy: -138.613
where: short stacking energy: -57.612
Base-Backbone interact. energy: -0.033
local terms energy: -72.787495
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -13.320
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -20.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -174.169697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.169697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.169697 (E_RNA)
where:
Base-Base interactions energy: -102.719
where: short stacking energy: -54.565
Base-Backbone interact. energy: -0.044
local terms energy: -71.406351
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -13.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -177.562349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.562349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.562349 (E_RNA)
where:
Base-Base interactions energy: -109.034
where: short stacking energy: -44.634
Base-Backbone interact. energy: -0.909
local terms energy: -67.619566
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -17.926
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -8.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -168.878335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.878335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.878335 (E_RNA)
where:
Base-Base interactions energy: -98.977
where: short stacking energy: -54.444
Base-Backbone interact. energy: -0.730
local terms energy: -69.171062
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -15.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -156.908411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.908411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.908411 (E_RNA)
where:
Base-Base interactions energy: -105.803
where: short stacking energy: -51.988
Base-Backbone interact. energy: -0.100
local terms energy: -51.004977
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -11.305
flat angles C4'-P-C4' energy: -7.991
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -9.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -151.754108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.754108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.754108 (E_RNA)
where:
Base-Base interactions energy: -87.180
where: short stacking energy: -47.520
Base-Backbone interact. energy: -0.028
local terms energy: -64.546153
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -9.278
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -12.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -132.709150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.709150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.709150 (E_RNA)
where:
Base-Base interactions energy: -88.162
where: short stacking energy: -30.687
Base-Backbone interact. energy: -0.369
local terms energy: -44.178177
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -8.672
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: -2.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -82.231724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.231724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.231724 (E_RNA)
where:
Base-Base interactions energy: -33.984
where: short stacking energy: -33.984
Base-Backbone interact. energy: 0.085
local terms energy: -48.332375
where:
bonds (distance) C4'-P energy: -8.886
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -11.219
flat angles P-C4'-P energy: -5.562
tors. eta vs tors. theta energy: -6.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -81.343683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.343683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.343683 (E_RNA)
where:
Base-Base interactions energy: -25.648
where: short stacking energy: -26.148
Base-Backbone interact. energy: -0.975
local terms energy: -54.720982
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -14.161
flat angles C4'-P-C4' energy: -11.919
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -7.958
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: 8
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -221.145159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.145159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.145159 (E_RNA)
where:
Base-Base interactions energy: -153.863
where: short stacking energy: -51.119
Base-Backbone interact. energy: -0.324
local terms energy: -66.957981
where:
bonds (distance) C4'-P energy: -10.027
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -10.020
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: 2, replica: 2
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -224.316746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.316746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.316746 (E_RNA)
where:
Base-Base interactions energy: -143.282
where: short stacking energy: -58.011
Base-Backbone interact. energy: -1.526
local terms energy: -79.509318
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -12.516
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: 3, replica: 10
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -177.016892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.016892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.016892 (E_RNA)
where:
Base-Base interactions energy: -109.354
where: short stacking energy: -55.920
Base-Backbone interact. energy: -0.485
local terms energy: -67.177065
where:
bonds (distance) C4'-P energy: -9.531
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -13.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -178.213134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.213134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.213134 (E_RNA)
where:
Base-Base interactions energy: -104.581
where: short stacking energy: -59.094
Base-Backbone interact. energy: -0.001
local terms energy: -73.630290
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -13.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -184.459614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.459614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.459614 (E_RNA)
where:
Base-Base interactions energy: -124.805
where: short stacking energy: -54.408
Base-Backbone interact. energy: -1.930
local terms energy: -57.724757
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -11.467
flat angles P-C4'-P energy: -4.128
tors. eta vs tors. theta energy: -13.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -174.064638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.064638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.064638 (E_RNA)
where:
Base-Base interactions energy: -107.866
where: short stacking energy: -57.590
Base-Backbone interact. energy: -0.129
local terms energy: -66.069669
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -18.217
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: 5
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -165.933167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.933167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.933167 (E_RNA)
where:
Base-Base interactions energy: -105.618
where: short stacking energy: -48.320
Base-Backbone interact. energy: 0.314
local terms energy: -60.629368
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -9.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -128.445486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.445486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.445486 (E_RNA)
where:
Base-Base interactions energy: -69.367
where: short stacking energy: -35.404
Base-Backbone interact. energy: -1.131
local terms energy: -57.947904
where:
bonds (distance) C4'-P energy: -9.437
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -9.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -77.503842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.503842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.503842 (E_RNA)
where:
Base-Base interactions energy: -25.673
where: short stacking energy: -24.713
Base-Backbone interact. energy: -0.120
local terms energy: -51.711152
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: 1.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -77.188308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.188308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.188308 (E_RNA)
where:
Base-Base interactions energy: -23.895
where: short stacking energy: -23.345
Base-Backbone interact. energy: -0.060
local terms energy: -53.234161
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -3.635
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: 1, replica: 8
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -229.764882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.764882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.764882 (E_RNA)
where:
Base-Base interactions energy: -154.300
where: short stacking energy: -57.252
Base-Backbone interact. energy: -1.522
local terms energy: -73.943329
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -12.471
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: 2
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -224.519210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.519210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.519210 (E_RNA)
where:
Base-Base interactions energy: -157.264
where: short stacking energy: -58.469
Base-Backbone interact. energy: -0.140
local terms energy: -67.115950
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -6.052
tors. eta vs tors. theta energy: -15.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -188.608364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.608364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.608364 (E_RNA)
where:
Base-Base interactions energy: -111.051
where: short stacking energy: -58.585
Base-Backbone interact. energy: -1.728
local terms energy: -75.829128
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -13.166
tors. eta vs tors. theta energy: -16.117
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: 1
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -190.998988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.998988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.998988 (E_RNA)
where:
Base-Base interactions energy: -121.039
where: short stacking energy: -63.617
Base-Backbone interact. energy: -0.676
local terms energy: -69.283803
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -18.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -180.258818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.258818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.258818 (E_RNA)
where:
Base-Base interactions energy: -118.120
where: short stacking energy: -56.968
Base-Backbone interact. energy: -0.052
local terms energy: -62.086235
where:
bonds (distance) C4'-P energy: -7.475
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -8.848
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: 6, replica: 5
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -165.725135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.725135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.725135 (E_RNA)
where:
Base-Base interactions energy: -96.554
where: short stacking energy: -51.029
Base-Backbone interact. energy: -0.017
local terms energy: -69.154251
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -9.707
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: 7, replica: 9
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -152.106289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.106289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.106289 (E_RNA)
where:
Base-Base interactions energy: -98.721
where: short stacking energy: -40.874
Base-Backbone interact. energy: -0.349
local terms energy: -53.035991
where:
bonds (distance) C4'-P energy: -9.180
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -11.676
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -8.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -88.588239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.588239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.588239 (E_RNA)
where:
Base-Base interactions energy: -33.670
where: short stacking energy: -30.176
Base-Backbone interact. energy: -1.216
local terms energy: -53.702442
where:
bonds (distance) C4'-P energy: -13.703
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -5.904
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: 9, replica: 7
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -110.609426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.609426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.609426 (E_RNA)
where:
Base-Base interactions energy: -50.335
where: short stacking energy: -40.180
Base-Backbone interact. energy: 0.030
local terms energy: -60.304208
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -9.113
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: 10, replica: 4
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -87.191256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.191256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.191256 (E_RNA)
where:
Base-Base interactions energy: -41.526
where: short stacking energy: -41.390
Base-Backbone interact. energy: -2.036
local terms energy: -43.629861
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -9.484
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -2.108
tors. eta vs tors. theta energy: -8.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -223.777633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.777633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.777633 (E_RNA)
where:
Base-Base interactions energy: -147.761
where: short stacking energy: -71.013
Base-Backbone interact. energy: -0.070
local terms energy: -75.947199
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -17.692
flat angles P-C4'-P energy: -7.219
tors. eta vs tors. theta energy: -20.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -235.679120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.679120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.679120 (E_RNA)
where:
Base-Base interactions energy: -157.653
where: short stacking energy: -65.996
Base-Backbone interact. energy: -1.914
local terms energy: -76.112142
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -19.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -191.768435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.768435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.768435 (E_RNA)
where:
Base-Base interactions energy: -118.795
where: short stacking energy: -64.386
Base-Backbone interact. energy: -0.725
local terms energy: -72.248651
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -10.699
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: 4, replica: 1
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -186.970199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.970199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.970199 (E_RNA)
where:
Base-Base interactions energy: -120.193
where: short stacking energy: -56.854
Base-Backbone interact. energy: -0.669
local terms energy: -66.107744
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -13.397
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: 5, replica: 5
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -171.482697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.482697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.482697 (E_RNA)
where:
Base-Base interactions energy: -103.190
where: short stacking energy: -58.149
Base-Backbone interact. energy: -0.662
local terms energy: -67.630638
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -12.565
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -10.952
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: 6, replica: 6
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -163.155597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.155597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.155597 (E_RNA)
where:
Base-Base interactions energy: -97.910
where: short stacking energy: -59.632
Base-Backbone interact. energy: -0.065
local terms energy: -65.181049
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -10.294
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -10.894
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: 7, replica: 9
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -140.306254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.306254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.306254 (E_RNA)
where:
Base-Base interactions energy: -87.215
where: short stacking energy: -46.568
Base-Backbone interact. energy: -0.041
local terms energy: -53.050851
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -5.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -89.727809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.727809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.727809 (E_RNA)
where:
Base-Base interactions energy: -34.707
where: short stacking energy: -32.344
Base-Backbone interact. energy: 0.868
local terms energy: -55.888508
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -8.223
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: 9, replica: 7
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -86.110788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.110788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.110788 (E_RNA)
where:
Base-Base interactions energy: -35.444
where: short stacking energy: -35.215
Base-Backbone interact. energy: -0.082
local terms energy: -50.584390
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -12.428
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -3.770
tors. eta vs tors. theta energy: -5.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -67.807515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.807515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.807515 (E_RNA)
where:
Base-Base interactions energy: -24.048
where: short stacking energy: -18.259
Base-Backbone interact. energy: -0.172
local terms energy: -43.587605
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -8.801
flat angles P-C4'-P energy: -6.598
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: 2
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -225.351886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.351886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.351886 (E_RNA)
where:
Base-Base interactions energy: -149.106
where: short stacking energy: -67.894
Base-Backbone interact. energy: -1.956
local terms energy: -74.290696
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -21.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -202.212749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.212749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.212749 (E_RNA)
where:
Base-Base interactions energy: -125.105
where: short stacking energy: -65.253
Base-Backbone interact. energy: 1.826
local terms energy: -78.934417
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -12.043
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: 3, replica: 8
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -221.181109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.181109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.181109 (E_RNA)
where:
Base-Base interactions energy: -153.450
where: short stacking energy: -62.152
Base-Backbone interact. energy: -0.238
local terms energy: -67.493084
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -11.893
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -19.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -177.205527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.205527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.205527 (E_RNA)
where:
Base-Base interactions energy: -106.969
where: short stacking energy: -52.132
Base-Backbone interact. energy: -0.094
local terms energy: -70.142005
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -16.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -168.891346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.891346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.891346 (E_RNA)
where:
Base-Base interactions energy: -107.040
where: short stacking energy: -48.433
Base-Backbone interact. energy: -1.901
local terms energy: -59.950404
where:
bonds (distance) C4'-P energy: -9.078
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -18.010
flat angles P-C4'-P energy: -6.864
tors. eta vs tors. theta energy: -11.823
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: 6
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -168.538149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.538149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.538149 (E_RNA)
where:
Base-Base interactions energy: -108.576
where: short stacking energy: -41.711
Base-Backbone interact. energy: -0.252
local terms energy: -59.711003
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -7.794
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -9.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -145.434238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.434238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.434238 (E_RNA)
where:
Base-Base interactions energy: -84.196
where: short stacking energy: -44.234
Base-Backbone interact. energy: -0.008
local terms energy: -61.229764
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -9.901
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: 95
Temperature: 1.250000
Total energy: -82.150691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.150691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.150691 (E_RNA)
where:
Base-Base interactions energy: -33.145
where: short stacking energy: -31.782
Base-Backbone interact. energy: -0.034
local terms energy: -48.972143
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -12.310
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -4.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -95.562766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.562766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.562766 (E_RNA)
where:
Base-Base interactions energy: -36.428
where: short stacking energy: -35.994
Base-Backbone interact. energy: -0.122
local terms energy: -59.012974
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -11.057
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: 4
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -79.985978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.985978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.985978 (E_RNA)
where:
Base-Base interactions energy: -27.255
where: short stacking energy: -19.758
Base-Backbone interact. energy: 1.392
local terms energy: -54.122912
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -12.503
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -3.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -229.543884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.543884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.543884 (E_RNA)
where:
Base-Base interactions energy: -150.279
where: short stacking energy: -70.455
Base-Backbone interact. energy: -0.026
local terms energy: -79.239557
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -20.070
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: 10
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -197.443297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.443297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.443297 (E_RNA)
where:
Base-Base interactions energy: -119.269
where: short stacking energy: -64.451
Base-Backbone interact. energy: -0.026
local terms energy: -78.147996
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -21.447
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: 8
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -216.183579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.183579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.183579 (E_RNA)
where:
Base-Base interactions energy: -144.628
where: short stacking energy: -59.193
Base-Backbone interact. energy: -0.006
local terms energy: -71.549616
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -9.735
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: 5
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -161.863841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.863841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.863841 (E_RNA)
where:
Base-Base interactions energy: -106.357
where: short stacking energy: -47.108
Base-Backbone interact. energy: -1.098
local terms energy: -54.408205
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -11.665
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -5.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -159.379667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.379667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.379667 (E_RNA)
where:
Base-Base interactions energy: -92.431
where: short stacking energy: -44.001
Base-Backbone interact. energy: -0.089
local terms energy: -66.859834
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -8.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -175.782841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.782841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.782841 (E_RNA)
where:
Base-Base interactions energy: -108.044
where: short stacking energy: -51.655
Base-Backbone interact. energy: -0.606
local terms energy: -67.132716
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -9.270
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: 9
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -149.798918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.798918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.798918 (E_RNA)
where:
Base-Base interactions energy: -97.410
where: short stacking energy: -50.659
Base-Backbone interact. energy: -0.098
local terms energy: -52.290784
where:
bonds (distance) C4'-P energy: -10.616
bonds (distance) P-C4' energy: -8.956
flat angles C4'-P-C4' energy: -9.552
flat angles P-C4'-P energy: -10.848
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: 8, replica: 7
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -81.164577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.164577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.164577 (E_RNA)
where:
Base-Base interactions energy: -32.946
where: short stacking energy: -25.201
Base-Backbone interact. energy: -0.084
local terms energy: -48.135418
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: 0.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -75.766715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.766715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.766715 (E_RNA)
where:
Base-Base interactions energy: -31.747
where: short stacking energy: -25.651
Base-Backbone interact. energy: -0.679
local terms energy: -43.340927
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -11.612
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -5.691
tors. eta vs tors. theta energy: 2.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -79.386883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.386883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.386883 (E_RNA)
where:
Base-Base interactions energy: -33.550
where: short stacking energy: -20.813
Base-Backbone interact. energy: -0.052
local terms energy: -45.785161
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -8.756
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -2.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -221.525857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.525857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.525857 (E_RNA)
where:
Base-Base interactions energy: -152.621
where: short stacking energy: -55.338
Base-Backbone interact. energy: -1.681
local terms energy: -67.223645
where:
bonds (distance) C4'-P energy: -10.303
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -6.158
tors. eta vs tors. theta energy: -17.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -226.670716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.670716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.670716 (E_RNA)
where:
Base-Base interactions energy: -154.780
where: short stacking energy: -54.201
Base-Backbone interact. energy: -1.214
local terms energy: -70.676999
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -8.661
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: 3, replica: 10
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -199.276678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.276678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.276678 (E_RNA)
where:
Base-Base interactions energy: -124.867
where: short stacking energy: -69.444
Base-Backbone interact. energy: -0.147
local terms energy: -74.261790
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -20.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -171.165606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.165606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.165606 (E_RNA)
where:
Base-Base interactions energy: -106.734
where: short stacking energy: -47.364
Base-Backbone interact. energy: 1.047
local terms energy: -65.478220
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -13.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -157.896720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.896720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.896720 (E_RNA)
where:
Base-Base interactions energy: -94.283
where: short stacking energy: -47.262
Base-Backbone interact. energy: -0.229
local terms energy: -63.384418
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -11.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -153.314091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.314091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.314091 (E_RNA)
where:
Base-Base interactions energy: -94.564
where: short stacking energy: -51.861
Base-Backbone interact. energy: -0.575
local terms energy: -58.174751
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -12.263
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -4.890
tors. eta vs tors. theta energy: -12.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -162.996109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.996109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.996109 (E_RNA)
where:
Base-Base interactions energy: -93.989
where: short stacking energy: -42.694
Base-Backbone interact. energy: -1.318
local terms energy: -67.689206
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -13.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -85.722410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.722410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.722410 (E_RNA)
where:
Base-Base interactions energy: -41.706
where: short stacking energy: -40.699
Base-Backbone interact. energy: -0.080
local terms energy: -43.937079
where:
bonds (distance) C4'-P energy: -8.949
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: 0.492
tors. eta vs tors. theta energy: -6.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -79.345375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.345375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.345375 (E_RNA)
where:
Base-Base interactions energy: -25.391
where: short stacking energy: -25.948
Base-Backbone interact. energy: -0.441
local terms energy: -53.513649
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -3.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -92.806063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.806063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.806063 (E_RNA)
where:
Base-Base interactions energy: -42.105
where: short stacking energy: -37.330
Base-Backbone interact. energy: -1.555
local terms energy: -49.146121
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -8.997
flat angles C4'-P-C4' energy: -7.849
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -9.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -208.595256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.595256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.595256 (E_RNA)
where:
Base-Base interactions energy: -134.874
where: short stacking energy: -64.280
Base-Backbone interact. energy: -0.042
local terms energy: -73.679218
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -15.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -218.589796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.589796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.589796 (E_RNA)
where:
Base-Base interactions energy: -145.702
where: short stacking energy: -50.402
Base-Backbone interact. energy: -0.930
local terms energy: -71.957591
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -17.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -175.593456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.593456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.593456 (E_RNA)
where:
Base-Base interactions energy: -113.073
where: short stacking energy: -67.016
Base-Backbone interact. energy: -0.309
local terms energy: -62.211834
where:
bonds (distance) C4'-P energy: -7.670
bonds (distance) P-C4' energy: -11.724
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -6.420
tors. eta vs tors. theta energy: -20.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -162.866851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.866851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.866851 (E_RNA)
where:
Base-Base interactions energy: -93.318
where: short stacking energy: -60.933
Base-Backbone interact. energy: -0.011
local terms energy: -69.537725
where:
bonds (distance) C4'-P energy: -11.783
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -14.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -161.760159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.760159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.760159 (E_RNA)
where:
Base-Base interactions energy: -96.549
where: short stacking energy: -44.293
Base-Backbone interact. energy: -0.921
local terms energy: -64.290051
where:
bonds (distance) C4'-P energy: -14.312
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -9.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -164.094256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.094256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.094256 (E_RNA)
where:
Base-Base interactions energy: -93.961
where: short stacking energy: -55.349
Base-Backbone interact. energy: -0.308
local terms energy: -69.825273
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -18.172
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -13.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -177.640680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.640680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.640680 (E_RNA)
where:
Base-Base interactions energy: -108.294
where: short stacking energy: -52.814
Base-Backbone interact. energy: -0.234
local terms energy: -69.112728
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -17.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -91.056931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.056931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.056931 (E_RNA)
where:
Base-Base interactions energy: -51.118
where: short stacking energy: -28.003
Base-Backbone interact. energy: 0.775
local terms energy: -40.714743
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -7.294
flat angles P-C4'-P energy: -3.043
tors. eta vs tors. theta energy: -1.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -79.693011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.693011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.693011 (E_RNA)
where:
Base-Base interactions energy: -32.544
where: short stacking energy: -30.994
Base-Backbone interact. energy: -0.208
local terms energy: -46.941031
where:
bonds (distance) C4'-P energy: -9.474
bonds (distance) P-C4' energy: -11.791
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -0.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -80.441554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.441554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.441554 (E_RNA)
where:
Base-Base interactions energy: -41.437
where: short stacking energy: -20.357
Base-Backbone interact. energy: -0.397
local terms energy: -38.607916
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -12.678
flat angles C4'-P-C4' energy: -3.927
flat angles P-C4'-P energy: -5.208
tors. eta vs tors. theta energy: -1.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -204.015982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.015982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.015982 (E_RNA)
where:
Base-Base interactions energy: -128.814
where: short stacking energy: -60.897
Base-Backbone interact. energy: -0.145
local terms energy: -75.056475
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -13.302
tors. eta vs tors. theta energy: -12.461
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: 8
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -212.845757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.845757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.845757 (E_RNA)
where:
Base-Base interactions energy: -146.417
where: short stacking energy: -51.794
Base-Backbone interact. energy: -0.653
local terms energy: -65.775068
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -11.271
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -13.721
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: 3, replica: 10
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -184.896106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.896106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.896106 (E_RNA)
where:
Base-Base interactions energy: -117.845
where: short stacking energy: -56.014
Base-Backbone interact. energy: -0.294
local terms energy: -66.756526
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -12.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -160.104165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.104165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.104165 (E_RNA)
where:
Base-Base interactions energy: -97.465
where: short stacking energy: -52.248
Base-Backbone interact. energy: 0.061
local terms energy: -62.700112
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -10.404
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: 5, replica: 5
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -168.015899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.015899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.015899 (E_RNA)
where:
Base-Base interactions energy: -105.502
where: short stacking energy: -56.433
Base-Backbone interact. energy: -0.355
local terms energy: -62.158471
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -7.971
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: 6, replica: 1
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -163.810384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.810384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.810384 (E_RNA)
where:
Base-Base interactions energy: -103.735
where: short stacking energy: -50.904
Base-Backbone interact. energy: -1.601
local terms energy: -58.474202
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -9.115
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -11.580
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: 9
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -120.299325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.299325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.299325 (E_RNA)
where:
Base-Base interactions energy: -72.636
where: short stacking energy: -39.075
Base-Backbone interact. energy: 0.130
local terms energy: -47.793508
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -11.867
flat angles C4'-P-C4' energy: -6.463
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -5.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -80.413725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.413725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.413725 (E_RNA)
where:
Base-Base interactions energy: -34.308
where: short stacking energy: -30.729
Base-Backbone interact. energy: -0.114
local terms energy: -45.991746
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -10.652
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: 1.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -87.944863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.944863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.944863 (E_RNA)
where:
Base-Base interactions energy: -33.473
where: short stacking energy: -33.052
Base-Backbone interact. energy: -0.156
local terms energy: -54.315921
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -6.954
tors. eta vs tors. theta energy: -3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -75.360124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.360124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.360124 (E_RNA)
where:
Base-Base interactions energy: -23.234
where: short stacking energy: -23.234
Base-Backbone interact. energy: -0.115
local terms energy: -52.011461
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -4.431
tors. eta vs tors. theta energy: -6.159
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: 8
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -220.787940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.787940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.787940 (E_RNA)
where:
Base-Base interactions energy: -150.350
where: short stacking energy: -53.246
Base-Backbone interact. energy: -0.203
local terms energy: -70.234391
where:
bonds (distance) C4'-P energy: -18.288
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -9.523
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: 2, replica: 2
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -194.644179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.644179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.644179 (E_RNA)
where:
Base-Base interactions energy: -121.615
where: short stacking energy: -55.690
Base-Backbone interact. energy: -0.741
local terms energy: -72.288162
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -16.564
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: 3, replica: 10
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -186.548032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.548032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.548032 (E_RNA)
where:
Base-Base interactions energy: -124.768
where: short stacking energy: -53.134
Base-Backbone interact. energy: 0.397
local terms energy: -62.176892
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -11.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -171.487531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.487531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.487531 (E_RNA)
where:
Base-Base interactions energy: -105.314
where: short stacking energy: -44.451
Base-Backbone interact. energy: -0.014
local terms energy: -66.159287
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -10.495
flat angles P-C4'-P energy: -9.466
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: 5
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -173.993451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.993451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.993451 (E_RNA)
where:
Base-Base interactions energy: -106.072
where: short stacking energy: -52.633
Base-Backbone interact. energy: -1.094
local terms energy: -66.827117
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -15.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -155.081635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.081635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.081635 (E_RNA)
where:
Base-Base interactions energy: -99.973
where: short stacking energy: -44.702
Base-Backbone interact. energy: -0.445
local terms energy: -54.663389
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -3.444
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: 7, replica: 9
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -140.110615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.110615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.110615 (E_RNA)
where:
Base-Base interactions energy: -80.214
where: short stacking energy: -45.154
Base-Backbone interact. energy: 0.045
local terms energy: -59.941454
where:
bonds (distance) C4'-P energy: -11.413
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -7.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -83.054849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.054849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.054849 (E_RNA)
where:
Base-Base interactions energy: -28.459
where: short stacking energy: -28.459
Base-Backbone interact. energy: -0.103
local terms energy: -54.493618
where:
bonds (distance) C4'-P energy: -7.156
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -5.126
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: 100
Temperature: 1.300000
Total energy: -83.211290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.211290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.211290 (E_RNA)
where:
Base-Base interactions energy: -43.706
where: short stacking energy: -28.197
Base-Backbone interact. energy: -0.035
local terms energy: -39.470091
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -0.291
flat angles P-C4'-P energy: -11.494
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: 10, replica: 4
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -76.807651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.807651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.807651 (E_RNA)
where:
Base-Base interactions energy: -25.481
where: short stacking energy: -25.481
Base-Backbone interact. energy: -0.084
local terms energy: -51.241814
where:
bonds (distance) C4'-P energy: -5.871
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -3.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -225.804229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.804229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.804229 (E_RNA)
where:
Base-Base interactions energy: -151.379
where: short stacking energy: -62.476
Base-Backbone interact. energy: -0.274
local terms energy: -74.151655
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -18.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -199.416738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.416738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.416738 (E_RNA)
where:
Base-Base interactions energy: -127.538
where: short stacking energy: -61.316
Base-Backbone interact. energy: -0.106
local terms energy: -71.773041
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: -18.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -205.653717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.653717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.653717 (E_RNA)
where:
Base-Base interactions energy: -143.918
where: short stacking energy: -56.424
Base-Backbone interact. energy: 0.278
local terms energy: -62.013257
where:
bonds (distance) C4'-P energy: -11.107
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -10.541
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: 4, replica: 5
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -168.236102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.236102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.236102 (E_RNA)
where:
Base-Base interactions energy: -104.484
where: short stacking energy: -58.515
Base-Backbone interact. energy: -0.130
local terms energy: -63.621519
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -10.001
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: 6
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -162.351283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.351283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.351283 (E_RNA)
where:
Base-Base interactions energy: -100.660
where: short stacking energy: -55.457
Base-Backbone interact. energy: -0.027
local terms energy: -61.664480
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -10.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -138.671385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.671385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.671385 (E_RNA)
where:
Base-Base interactions energy: -70.317
where: short stacking energy: -45.398
Base-Backbone interact. energy: -0.099
local terms energy: -68.255704
where:
bonds (distance) C4'-P energy: -15.687
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -7.424
tors. eta vs tors. theta energy: -13.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -160.466671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.466671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.466671 (E_RNA)
where:
Base-Base interactions energy: -94.020
where: short stacking energy: -45.573
Base-Backbone interact. energy: -0.554
local terms energy: -65.892613
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -13.354
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -9.506
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: 7
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -86.206588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.206588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.206588 (E_RNA)
where:
Base-Base interactions energy: -32.104
where: short stacking energy: -24.811
Base-Backbone interact. energy: -0.164
local terms energy: -53.939024
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -2.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -86.019770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.019770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.019770 (E_RNA)
where:
Base-Base interactions energy: -35.135
where: short stacking energy: -29.660
Base-Backbone interact. energy: -0.010
local terms energy: -50.874848
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -4.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -69.146069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.146069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.146069 (E_RNA)
where:
Base-Base interactions energy: -19.169
where: short stacking energy: -13.579
Base-Backbone interact. energy: 0.732
local terms energy: -50.709357
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -11.239
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -0.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -201.604506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.604506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.604506 (E_RNA)
where:
Base-Base interactions energy: -130.801
where: short stacking energy: -50.421
Base-Backbone interact. energy: -0.018
local terms energy: -70.786105
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -13.903
tors. eta vs tors. theta energy: -11.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -217.049950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.049950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.049950 (E_RNA)
where:
Base-Base interactions energy: -144.895
where: short stacking energy: -58.417
Base-Backbone interact. energy: -0.386
local terms energy: -71.768901
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -12.308
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: 2
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -198.683338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.683338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.683338 (E_RNA)
where:
Base-Base interactions energy: -140.837
where: short stacking energy: -57.006
Base-Backbone interact. energy: -1.506
local terms energy: -56.340710
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -11.014
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -2.953
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: 4, replica: 5
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -169.379432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.379432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.379432 (E_RNA)
where:
Base-Base interactions energy: -100.222
where: short stacking energy: -50.417
Base-Backbone interact. energy: -0.664
local terms energy: -68.493252
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -11.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -174.010487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.010487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.010487 (E_RNA)
where:
Base-Base interactions energy: -112.967
where: short stacking energy: -58.877
Base-Backbone interact. energy: -0.144
local terms energy: -60.899079
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -14.291
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -6.044
tors. eta vs tors. theta energy: -13.833
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: 6, replica: 9
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -139.774383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.774383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.774383 (E_RNA)
where:
Base-Base interactions energy: -79.311
where: short stacking energy: -44.496
Base-Backbone interact. energy: -0.235
local terms energy: -60.227619
where:
bonds (distance) C4'-P energy: -11.028
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -17.385
flat angles P-C4'-P energy: -5.505
tors. eta vs tors. theta energy: -9.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -150.098638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.098638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.098638 (E_RNA)
where:
Base-Base interactions energy: -88.895
where: short stacking energy: -44.128
Base-Backbone interact. energy: -0.516
local terms energy: -60.687819
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -9.777
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: 7
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -95.676505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.676505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.676505 (E_RNA)
where:
Base-Base interactions energy: -40.602
where: short stacking energy: -31.808
Base-Backbone interact. energy: -0.090
local terms energy: -54.984891
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: 1.375
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: 3
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -98.839490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.839490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.839490 (E_RNA)
where:
Base-Base interactions energy: -44.904
where: short stacking energy: -37.565
Base-Backbone interact. energy: -0.102
local terms energy: -53.832920
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -6.846
tors. eta vs tors. theta energy: -7.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -74.278923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.278923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.278923 (E_RNA)
where:
Base-Base interactions energy: -27.158
where: short stacking energy: -27.158
Base-Backbone interact. energy: -0.027
local terms energy: -47.093405
where:
bonds (distance) C4'-P energy: -8.921
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -5.186
tors. eta vs tors. theta energy: -5.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -199.492944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.492944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.492944 (E_RNA)
where:
Base-Base interactions energy: -122.017
where: short stacking energy: -59.187
Base-Backbone interact. energy: -1.035
local terms energy: -76.440906
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -17.574
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -17.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -219.054103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.054103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.054103 (E_RNA)
where:
Base-Base interactions energy: -147.745
where: short stacking energy: -71.026
Base-Backbone interact. energy: -0.008
local terms energy: -71.301316
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -19.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -218.192774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.192774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.192774 (E_RNA)
where:
Base-Base interactions energy: -141.745
where: short stacking energy: -72.357
Base-Backbone interact. energy: -0.001
local terms energy: -76.447038
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -22.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -167.875902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.875902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.875902 (E_RNA)
where:
Base-Base interactions energy: -106.581
where: short stacking energy: -47.625
Base-Backbone interact. energy: -0.336
local terms energy: -60.958675
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -9.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -181.708190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.708190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.708190 (E_RNA)
where:
Base-Base interactions energy: -119.376
where: short stacking energy: -68.531
Base-Backbone interact. energy: -0.012
local terms energy: -62.320577
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -12.221
flat angles C4'-P-C4' energy: -18.014
flat angles P-C4'-P energy: -3.763
tors. eta vs tors. theta energy: -18.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -147.156989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.156989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.156989 (E_RNA)
where:
Base-Base interactions energy: -91.219
where: short stacking energy: -58.751
Base-Backbone interact. energy: -0.066
local terms energy: -55.872129
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -10.901
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -5.934
tors. eta vs tors. theta energy: -12.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -141.089892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.089892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.089892 (E_RNA)
where:
Base-Base interactions energy: -83.473
where: short stacking energy: -34.944
Base-Backbone interact. energy: -0.050
local terms energy: -57.567034
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -16.772
flat angles P-C4'-P energy: -4.619
tors. eta vs tors. theta energy: -8.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -127.336228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.336228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.336228 (E_RNA)
where:
Base-Base interactions energy: -74.108
where: short stacking energy: -38.929
Base-Backbone interact. energy: -1.298
local terms energy: -51.930348
where:
bonds (distance) C4'-P energy: -7.765
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -6.658
tors. eta vs tors. theta energy: -5.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -77.648593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.648593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.648593 (E_RNA)
where:
Base-Base interactions energy: -32.615
where: short stacking energy: -32.615
Base-Backbone interact. energy: -0.077
local terms energy: -44.956635
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -9.585
flat angles C4'-P-C4' energy: -11.970
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -0.159
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: 4
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -79.178714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.178714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.178714 (E_RNA)
where:
Base-Base interactions energy: -35.635
where: short stacking energy: -31.391
Base-Backbone interact. energy: -0.073
local terms energy: -43.470671
where:
bonds (distance) C4'-P energy: -9.780
bonds (distance) P-C4' energy: -10.975
flat angles C4'-P-C4' energy: -8.661
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -4.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -225.427122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.427122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.427122 (E_RNA)
where:
Base-Base interactions energy: -147.657
where: short stacking energy: -74.823
Base-Backbone interact. energy: -0.280
local terms energy: -77.490222
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -13.368
tors. eta vs tors. theta energy: -19.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -200.200593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.200593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.200593 (E_RNA)
where:
Base-Base interactions energy: -130.112
where: short stacking energy: -57.273
Base-Backbone interact. energy: -1.160
local terms energy: -68.928711
where:
bonds (distance) C4'-P energy: -8.877
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -11.583
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: 3, replica: 2
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -195.115307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.115307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.115307 (E_RNA)
where:
Base-Base interactions energy: -125.840
where: short stacking energy: -56.817
Base-Backbone interact. energy: -0.009
local terms energy: -69.265729
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -16.732
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -14.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -180.868756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.868756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.868756 (E_RNA)
where:
Base-Base interactions energy: -119.325
where: short stacking energy: -57.356
Base-Backbone interact. energy: -1.114
local terms energy: -60.429842
where:
bonds (distance) C4'-P energy: -11.612
bonds (distance) P-C4' energy: -10.856
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -9.341
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: 1
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -148.396091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.396091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.396091 (E_RNA)
where:
Base-Base interactions energy: -88.290
where: short stacking energy: -47.074
Base-Backbone interact. energy: -0.195
local terms energy: -59.911426
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -8.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -141.197895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.197895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.197895 (E_RNA)
where:
Base-Base interactions energy: -87.598
where: short stacking energy: -49.979
Base-Backbone interact. energy: -0.647
local terms energy: -52.953023
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -7.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -130.508272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.508272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.508272 (E_RNA)
where:
Base-Base interactions energy: -74.284
where: short stacking energy: -34.758
Base-Backbone interact. energy: -0.185
local terms energy: -56.040139
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -11.182
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -4.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -157.012129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.012129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.012129 (E_RNA)
where:
Base-Base interactions energy: -93.297
where: short stacking energy: -42.121
Base-Backbone interact. energy: -0.473
local terms energy: -63.241974
where:
bonds (distance) C4'-P energy: -10.311
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -11.817
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: 9, replica: 4
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -103.995861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.995861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.995861 (E_RNA)
where:
Base-Base interactions energy: -57.111
where: short stacking energy: -41.068
Base-Backbone interact. energy: -0.125
local terms energy: -46.760090
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -10.714
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -6.149
tors. eta vs tors. theta energy: -3.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -80.281181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.281181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.281181 (E_RNA)
where:
Base-Base interactions energy: -31.808
where: short stacking energy: -31.578
Base-Backbone interact. energy: -0.085
local terms energy: -48.388758
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -10.669
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -2.132
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: 1, replica: 8
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -226.996770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.996770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.996770 (E_RNA)
where:
Base-Base interactions energy: -147.877
where: short stacking energy: -72.679
Base-Backbone interact. energy: -0.204
local terms energy: -78.915851
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -20.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -191.099848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.099848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.099848 (E_RNA)
where:
Base-Base interactions energy: -115.893
where: short stacking energy: -59.713
Base-Backbone interact. energy: -1.363
local terms energy: -73.843847
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -19.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -195.156867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.156867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.156867 (E_RNA)
where:
Base-Base interactions energy: -129.691
where: short stacking energy: -56.474
Base-Backbone interact. energy: 1.089
local terms energy: -66.555329
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -10.918
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: 4, replica: 5
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -168.543222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.543222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.543222 (E_RNA)
where:
Base-Base interactions energy: -104.071
where: short stacking energy: -49.162
Base-Backbone interact. energy: -0.449
local terms energy: -64.022927
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -10.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -140.378406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.378406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.378406 (E_RNA)
where:
Base-Base interactions energy: -87.922
where: short stacking energy: -53.265
Base-Backbone interact. energy: -0.299
local terms energy: -52.157015
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -8.559
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -10.344
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)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -166.237529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.237529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.237529 (E_RNA)
where:
Base-Base interactions energy: -102.180
where: short stacking energy: -50.187
Base-Backbone interact. energy: -0.745
local terms energy: -63.312095
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -12.023
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -11.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -129.030203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.030203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.030203 (E_RNA)
where:
Base-Base interactions energy: -74.765
where: short stacking energy: -24.795
Base-Backbone interact. energy: 0.097
local terms energy: -54.362448
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -1.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -159.143842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.143842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.143842 (E_RNA)
where:
Base-Base interactions energy: -94.542
where: short stacking energy: -49.609
Base-Backbone interact. energy: -0.805
local terms energy: -63.796734
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -10.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -88.146956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.146956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.146956 (E_RNA)
where:
Base-Base interactions energy: -31.845
where: short stacking energy: -31.845
Base-Backbone interact. energy: -0.333
local terms energy: -55.969173
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -5.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -84.400554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.400554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.400554 (E_RNA)
where:
Base-Base interactions energy: -36.215
where: short stacking energy: -28.968
Base-Backbone interact. energy: -0.102
local terms energy: -48.083279
where:
bonds (distance) C4'-P energy: -3.186
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -2.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -201.273621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.273621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.273621 (E_RNA)
where:
Base-Base interactions energy: -130.994
where: short stacking energy: -63.294
Base-Backbone interact. energy: -1.924
local terms energy: -68.355707
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -12.400
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -13.958
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: 8
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -221.914789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.914789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.914789 (E_RNA)
where:
Base-Base interactions energy: -149.902
where: short stacking energy: -68.360
Base-Backbone interact. energy: -0.005
local terms energy: -72.008424
where:
bonds (distance) C4'-P energy: -8.091
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -13.566
tors. eta vs tors. theta energy: -18.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -175.451370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.451370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.451370 (E_RNA)
where:
Base-Base interactions energy: -105.032
where: short stacking energy: -61.745
Base-Backbone interact. energy: -0.451
local terms energy: -69.968359
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -12.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -191.493743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.493743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.493743 (E_RNA)
where:
Base-Base interactions energy: -120.792
where: short stacking energy: -58.544
Base-Backbone interact. energy: -0.001
local terms energy: -70.700710
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -10.741
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: 5, replica: 3
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -174.580544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.580544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.580544 (E_RNA)
where:
Base-Base interactions energy: -106.291
where: short stacking energy: -56.773
Base-Backbone interact. energy: -1.387
local terms energy: -66.903169
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -15.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -159.273116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.273116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.273116 (E_RNA)
where:
Base-Base interactions energy: -99.505
where: short stacking energy: -62.307
Base-Backbone interact. energy: -0.072
local terms energy: -59.695668
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -9.744
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -15.552
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: 9
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -153.174577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.174577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.174577 (E_RNA)
where:
Base-Base interactions energy: -93.338
where: short stacking energy: -47.368
Base-Backbone interact. energy: -0.043
local terms energy: -59.794433
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -10.675
flat angles P-C4'-P energy: -10.185
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: 8, replica: 6
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -126.403062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.403062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.403062 (E_RNA)
where:
Base-Base interactions energy: -75.032
where: short stacking energy: -42.701
Base-Backbone interact. energy: -0.088
local terms energy: -51.283055
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: -2.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -93.287412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.287412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.287412 (E_RNA)
where:
Base-Base interactions energy: -48.530
where: short stacking energy: -32.081
Base-Backbone interact. energy: -0.255
local terms energy: -44.502535
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -7.458
tors. eta vs tors. theta energy: -0.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -80.578765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.578765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.578765 (E_RNA)
where:
Base-Base interactions energy: -37.325
where: short stacking energy: -24.476
Base-Backbone interact. energy: -0.036
local terms energy: -43.218500
where:
bonds (distance) C4'-P energy: -10.163
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -11.589
flat angles P-C4'-P energy: -5.330
tors. eta vs tors. theta energy: -3.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -200.149228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.149228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.149228 (E_RNA)
where:
Base-Base interactions energy: -125.100
where: short stacking energy: -61.776
Base-Backbone interact. energy: -1.150
local terms energy: -73.899871
where:
bonds (distance) C4'-P energy: -16.883
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -16.237
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: 8
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -218.410906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.410906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.410906 (E_RNA)
where:
Base-Base interactions energy: -138.714
where: short stacking energy: -70.170
Base-Backbone interact. energy: -0.026
local terms energy: -79.670127
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -17.942
flat angles P-C4'-P energy: -11.606
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: 3, replica: 5
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -162.080711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.080711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.080711 (E_RNA)
where:
Base-Base interactions energy: -96.814
where: short stacking energy: -56.984
Base-Backbone interact. energy: -1.198
local terms energy: -64.068827
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -12.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -189.560281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.560281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.560281 (E_RNA)
where:
Base-Base interactions energy: -124.056
where: short stacking energy: -52.865
Base-Backbone interact. energy: -0.178
local terms energy: -65.326674
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -5.408
tors. eta vs tors. theta energy: -15.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -168.855351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.855351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.855351 (E_RNA)
where:
Base-Base interactions energy: -95.325
where: short stacking energy: -50.658
Base-Backbone interact. energy: -0.666
local terms energy: -72.864222
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -13.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -157.848995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.848995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.848995 (E_RNA)
where:
Base-Base interactions energy: -100.318
where: short stacking energy: -47.233
Base-Backbone interact. energy: -0.012
local terms energy: -57.519269
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -8.470
flat angles C4'-P-C4' energy: -10.930
flat angles P-C4'-P energy: -10.671
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: 7, replica: 1
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -140.420564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.420564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.420564 (E_RNA)
where:
Base-Base interactions energy: -82.695
where: short stacking energy: -37.919
Base-Backbone interact. energy: -0.292
local terms energy: -57.433370
where:
bonds (distance) C4'-P energy: -9.774
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -6.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -84.635154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.635154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.635154 (E_RNA)
where:
Base-Base interactions energy: -38.016
where: short stacking energy: -34.160
Base-Backbone interact. energy: -0.326
local terms energy: -46.293518
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -11.002
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -1.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -121.933452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.933452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.933452 (E_RNA)
where:
Base-Base interactions energy: -74.069
where: short stacking energy: -29.643
Base-Backbone interact. energy: -0.815
local terms energy: -47.048868
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -7.307
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -2.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -79.739767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.739767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.739767 (E_RNA)
where:
Base-Base interactions energy: -19.050
where: short stacking energy: -16.761
Base-Backbone interact. energy: -0.542
local terms energy: -60.147872
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -0.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -223.840240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.840240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.840240 (E_RNA)
where:
Base-Base interactions energy: -152.493
where: short stacking energy: -75.752
Base-Backbone interact. energy: -0.003
local terms energy: -71.344323
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -17.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -195.752956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.752956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.752956 (E_RNA)
where:
Base-Base interactions energy: -127.081
where: short stacking energy: -60.805
Base-Backbone interact. energy: -0.002
local terms energy: -68.670153
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -7.197
tors. eta vs tors. theta energy: -17.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -205.665192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.665192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.665192 (E_RNA)
where:
Base-Base interactions energy: -134.208
where: short stacking energy: -62.266
Base-Backbone interact. energy: -0.002
local terms energy: -71.455386
where:
bonds (distance) C4'-P energy: -10.674
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -19.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -181.192510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.192510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.192510 (E_RNA)
where:
Base-Base interactions energy: -112.963
where: short stacking energy: -58.008
Base-Backbone interact. energy: -0.489
local terms energy: -67.741442
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -12.740
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: 5, replica: 9
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -166.837507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.837507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.837507 (E_RNA)
where:
Base-Base interactions energy: -106.840
where: short stacking energy: -42.324
Base-Backbone interact. energy: -0.190
local terms energy: -59.807351
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -11.751
flat angles C4'-P-C4' energy: -10.588
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -10.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -166.283905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.283905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.283905 (E_RNA)
where:
Base-Base interactions energy: -104.283
where: short stacking energy: -54.911
Base-Backbone interact. energy: -0.735
local terms energy: -61.265814
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -10.314
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -12.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -109.855665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.855665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.855665 (E_RNA)
where:
Base-Base interactions energy: -53.756
where: short stacking energy: -33.778
Base-Backbone interact. energy: -0.172
local terms energy: -55.928306
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -12.991
flat angles C4'-P-C4' energy: -9.939
flat angles P-C4'-P energy: -12.088
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: 8, replica: 4
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -86.004295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.004295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.004295 (E_RNA)
where:
Base-Base interactions energy: -38.279
where: short stacking energy: -28.633
Base-Backbone interact. energy: -0.240
local terms energy: -47.485133
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -13.978
flat angles C4'-P-C4' energy: -8.374
flat angles P-C4'-P energy: -2.848
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: 9, replica: 6
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -90.914956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.914956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.914956 (E_RNA)
where:
Base-Base interactions energy: -36.210
where: short stacking energy: -35.347
Base-Backbone interact. energy: 0.110
local terms energy: -54.814619
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -10.567
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -4.893
tors. eta vs tors. theta energy: -7.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -73.115149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.115149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.115149 (E_RNA)
where:
Base-Base interactions energy: -26.113
where: short stacking energy: -25.141
Base-Backbone interact. energy: -0.135
local terms energy: -46.867126
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -9.838
flat angles C4'-P-C4' energy: -11.325
flat angles P-C4'-P energy: -11.421
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: 8
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -229.076424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.076424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.076424 (E_RNA)
where:
Base-Base interactions energy: -152.066
where: short stacking energy: -67.502
Base-Backbone interact. energy: -0.001
local terms energy: -77.009461
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -13.433
tors. eta vs tors. theta energy: -16.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -208.606765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.606765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.606765 (E_RNA)
where:
Base-Base interactions energy: -135.697
where: short stacking energy: -68.867
Base-Backbone interact. energy: -0.123
local terms energy: -72.786925
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -14.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -208.303333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.303333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.303333 (E_RNA)
where:
Base-Base interactions energy: -130.758
where: short stacking energy: -64.938
Base-Backbone interact. energy: -0.077
local terms energy: -77.469190
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -12.648
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: 4, replica: 5
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -180.339353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.339353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.339353 (E_RNA)
where:
Base-Base interactions energy: -108.415
where: short stacking energy: -64.376
Base-Backbone interact. energy: -0.197
local terms energy: -71.727092
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -15.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -174.690959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.690959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.690959 (E_RNA)
where:
Base-Base interactions energy: -106.358
where: short stacking energy: -58.357
Base-Backbone interact. energy: -0.118
local terms energy: -68.215747
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -16.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -153.091840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.091840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.091840 (E_RNA)
where:
Base-Base interactions energy: -94.581
where: short stacking energy: -55.819
Base-Backbone interact. energy: -0.009
local terms energy: -58.502182
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -12.294
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -11.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -99.525118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.525118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.525118 (E_RNA)
where:
Base-Base interactions energy: -48.428
where: short stacking energy: -43.229
Base-Backbone interact. energy: -0.143
local terms energy: -50.954212
where:
bonds (distance) C4'-P energy: -10.344
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -6.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -76.350229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.350229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.350229 (E_RNA)
where:
Base-Base interactions energy: -23.684
where: short stacking energy: -22.620
Base-Backbone interact. energy: -0.232
local terms energy: -52.433929
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -10.809
flat angles P-C4'-P energy: -6.270
tors. eta vs tors. theta energy: -2.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -84.636884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.636884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.636884 (E_RNA)
where:
Base-Base interactions energy: -40.507
where: short stacking energy: -30.299
Base-Backbone interact. energy: -0.194
local terms energy: -43.935994
where:
bonds (distance) C4'-P energy: -9.218
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -9.453
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -1.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -90.430677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.430677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.430677 (E_RNA)
where:
Base-Base interactions energy: -31.948
where: short stacking energy: -31.647
Base-Backbone interact. energy: -0.065
local terms energy: -58.417798
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -5.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -211.660799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.660799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.660799 (E_RNA)
where:
Base-Base interactions energy: -139.888
where: short stacking energy: -67.874
Base-Backbone interact. energy: -0.921
local terms energy: -70.852172
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -13.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -223.427441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.427441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.427441 (E_RNA)
where:
Base-Base interactions energy: -140.986
where: short stacking energy: -67.487
Base-Backbone interact. energy: -0.003
local terms energy: -82.439132
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -21.102
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: 5
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -184.082068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.082068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.082068 (E_RNA)
where:
Base-Base interactions energy: -112.067
where: short stacking energy: -58.062
Base-Backbone interact. energy: -0.231
local terms energy: -71.784867
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -14.971
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -14.738
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: 4, replica: 10
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -158.295116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.295116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.295116 (E_RNA)
where:
Base-Base interactions energy: -93.438
where: short stacking energy: -46.835
Base-Backbone interact. energy: -0.026
local terms energy: -64.831011
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -8.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -151.095556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.095556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.095556 (E_RNA)
where:
Base-Base interactions energy: -87.980
where: short stacking energy: -53.973
Base-Backbone interact. energy: -0.146
local terms energy: -62.970326
where:
bonds (distance) C4'-P energy: -13.856
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -17.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -154.813318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.813318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.813318 (E_RNA)
where:
Base-Base interactions energy: -93.421
where: short stacking energy: -42.713
Base-Backbone interact. energy: -1.104
local terms energy: -60.288460
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -8.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -87.598631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.598631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.598631 (E_RNA)
where:
Base-Base interactions energy: -33.678
where: short stacking energy: -34.833
Base-Backbone interact. energy: 0.366
local terms energy: -54.286588
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -3.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -83.058562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.058562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.058562 (E_RNA)
where:
Base-Base interactions energy: -29.464
where: short stacking energy: -21.584
Base-Backbone interact. energy: -0.276
local terms energy: -53.318548
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -17.578
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -3.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -84.682654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.682654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.682654 (E_RNA)
where:
Base-Base interactions energy: -30.077
where: short stacking energy: -30.077
Base-Backbone interact. energy: -0.074
local terms energy: -54.531274
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -13.033
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -5.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -80.813240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.813240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.813240 (E_RNA)
where:
Base-Base interactions energy: -33.964
where: short stacking energy: -33.964
Base-Backbone interact. energy: -0.084
local terms energy: -46.766077
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -2.781
tors. eta vs tors. theta energy: -3.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -211.301940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.301940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.301940 (E_RNA)
where:
Base-Base interactions energy: -137.485
where: short stacking energy: -65.826
Base-Backbone interact. energy: -0.034
local terms energy: -73.783186
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: -16.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -220.711951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.711951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.711951 (E_RNA)
where:
Base-Base interactions energy: -139.492
where: short stacking energy: -64.389
Base-Backbone interact. energy: -1.227
local terms energy: -79.992648
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -20.195
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: 5
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -181.351044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.351044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.351044 (E_RNA)
where:
Base-Base interactions energy: -111.335
where: short stacking energy: -61.356
Base-Backbone interact. energy: -1.029
local terms energy: -68.987226
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -9.427
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: 4, replica: 10
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -175.379970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.379970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.379970 (E_RNA)
where:
Base-Base interactions energy: -107.345
where: short stacking energy: -62.974
Base-Backbone interact. energy: -0.060
local terms energy: -67.975765
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -10.920
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -16.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -155.179933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.179933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.179933 (E_RNA)
where:
Base-Base interactions energy: -99.573
where: short stacking energy: -41.588
Base-Backbone interact. energy: 0.341
local terms energy: -55.948058
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -11.135
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -3.514
tors. eta vs tors. theta energy: -10.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -147.142059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.142059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.142059 (E_RNA)
where:
Base-Base interactions energy: -86.695
where: short stacking energy: -47.180
Base-Backbone interact. energy: -0.106
local terms energy: -60.340851
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -10.844
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: 7, replica: 1
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -83.042686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.042686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.042686 (E_RNA)
where:
Base-Base interactions energy: -36.084
where: short stacking energy: -36.084
Base-Backbone interact. energy: -0.268
local terms energy: -46.690644
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -11.779
flat angles C4'-P-C4' energy: -11.768
flat angles P-C4'-P energy: -6.926
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: 8, replica: 7
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -81.963028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.963028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.963028 (E_RNA)
where:
Base-Base interactions energy: -34.627
where: short stacking energy: -30.210
Base-Backbone interact. energy: -0.010
local terms energy: -47.325273
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -10.055
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: 1.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -71.574666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.574666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.574666 (E_RNA)
where:
Base-Base interactions energy: -26.257
where: short stacking energy: -20.800
Base-Backbone interact. energy: -0.317
local terms energy: -45.001207
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -7.981
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: 0.769
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: 10, replica: 4
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -77.645053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.645053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.645053 (E_RNA)
where:
Base-Base interactions energy: -30.794
where: short stacking energy: -30.794
Base-Backbone interact. energy: 0.914
local terms energy: -47.764874
where:
bonds (distance) C4'-P energy: -6.642
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -6.740
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: 2
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -218.326656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.326656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.326656 (E_RNA)
where:
Base-Base interactions energy: -139.038
where: short stacking energy: -65.358
Base-Backbone interact. energy: -0.280
local terms energy: -79.009274
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -18.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -220.172915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.172915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.172915 (E_RNA)
where:
Base-Base interactions energy: -143.754
where: short stacking energy: -71.717
Base-Backbone interact. energy: -0.001
local terms energy: -76.417473
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -10.674
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: 5
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -184.631705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.631705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.631705 (E_RNA)
where:
Base-Base interactions energy: -106.683
where: short stacking energy: -60.701
Base-Backbone interact. energy: -0.003
local terms energy: -77.945703
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -12.543
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: 112
Temperature: 1.050000
Total energy: -170.891260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.891260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.891260 (E_RNA)
where:
Base-Base interactions energy: -99.211
where: short stacking energy: -58.246
Base-Backbone interact. energy: -0.726
local terms energy: -70.954376
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -10.341
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: 5, replica: 9
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -175.129748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.129748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.129748 (E_RNA)
where:
Base-Base interactions energy: -100.819
where: short stacking energy: -55.445
Base-Backbone interact. energy: -0.002
local terms energy: -74.309277
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -17.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -155.084517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.084517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.084517 (E_RNA)
where:
Base-Base interactions energy: -99.645
where: short stacking energy: -46.401
Base-Backbone interact. energy: -0.051
local terms energy: -55.388781
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -4.727
tors. eta vs tors. theta energy: -11.430
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: 1
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -94.274681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.274681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.274681 (E_RNA)
where:
Base-Base interactions energy: -40.343
where: short stacking energy: -32.346
Base-Backbone interact. energy: -0.009
local terms energy: -53.922795
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -4.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -100.745013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.745013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.745013 (E_RNA)
where:
Base-Base interactions energy: -44.748
where: short stacking energy: -32.302
Base-Backbone interact. energy: -0.331
local terms energy: -55.665237
where:
bonds (distance) C4'-P energy: -7.463
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -4.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -88.094387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.094387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.094387 (E_RNA)
where:
Base-Base interactions energy: -43.052
where: short stacking energy: -24.335
Base-Backbone interact. energy: -0.321
local terms energy: -44.721683
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -9.678
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: 0.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -69.975473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.975473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.975473 (E_RNA)
where:
Base-Base interactions energy: -25.620
where: short stacking energy: -25.114
Base-Backbone interact. energy: -0.095
local terms energy: -44.260451
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -9.947
flat angles P-C4'-P energy: -2.805
tors. eta vs tors. theta energy: -5.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -213.018534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.018534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.018534 (E_RNA)
where:
Base-Base interactions energy: -136.981
where: short stacking energy: -67.898
Base-Backbone interact. energy: 0.421
local terms energy: -76.458439
where:
bonds (distance) C4'-P energy: -18.064
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -10.402
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: 2, replica: 8
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -215.891896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.891896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.891896 (E_RNA)
where:
Base-Base interactions energy: -141.085
where: short stacking energy: -67.234
Base-Backbone interact. energy: -0.780
local terms energy: -74.026694
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -17.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -188.010915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.010915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.010915 (E_RNA)
where:
Base-Base interactions energy: -119.578
where: short stacking energy: -60.919
Base-Backbone interact. energy: -0.128
local terms energy: -68.304751
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -15.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -172.301375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.301375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.301375 (E_RNA)
where:
Base-Base interactions energy: -112.076
where: short stacking energy: -65.923
Base-Backbone interact. energy: -0.191
local terms energy: -60.034114
where:
bonds (distance) C4'-P energy: -9.386
bonds (distance) P-C4' energy: -11.329
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: -18.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -159.926397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.926397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.926397 (E_RNA)
where:
Base-Base interactions energy: -103.182
where: short stacking energy: -47.098
Base-Backbone interact. energy: -0.293
local terms energy: -56.451613
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -8.310
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: 6, replica: 3
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -144.832925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.832925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.832925 (E_RNA)
where:
Base-Base interactions energy: -90.238
where: short stacking energy: -37.943
Base-Backbone interact. energy: -0.490
local terms energy: -54.105328
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -12.016
flat angles C4'-P-C4' energy: -10.215
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -5.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -87.111279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.111279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.111279 (E_RNA)
where:
Base-Base interactions energy: -26.713
where: short stacking energy: -26.713
Base-Backbone interact. energy: -0.169
local terms energy: -60.228806
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -8.847
flat angles P-C4'-P energy: -11.716
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: 8, replica: 4
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -78.879071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.879071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.879071 (E_RNA)
where:
Base-Base interactions energy: -29.564
where: short stacking energy: -27.393
Base-Backbone interact. energy: -0.298
local terms energy: -49.017015
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: 0.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -97.095826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.095826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.095826 (E_RNA)
where:
Base-Base interactions energy: -44.086
where: short stacking energy: -32.237
Base-Backbone interact. energy: -0.808
local terms energy: -52.201427
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -9.645
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -6.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -89.940280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.940280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.940280 (E_RNA)
where:
Base-Base interactions energy: -32.935
where: short stacking energy: -32.935
Base-Backbone interact. energy: -0.044
local terms energy: -56.961401
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -6.215
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: 2
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -214.129103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.129103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.129103 (E_RNA)
where:
Base-Base interactions energy: -146.011
where: short stacking energy: -67.128
Base-Backbone interact. energy: -0.526
local terms energy: -67.592133
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -13.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -220.628507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.628507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.628507 (E_RNA)
where:
Base-Base interactions energy: -139.229
where: short stacking energy: -64.893
Base-Backbone interact. energy: -0.685
local terms energy: -80.713708
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -13.926
tors. eta vs tors. theta energy: -18.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -190.460635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.460635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.460635 (E_RNA)
where:
Base-Base interactions energy: -113.969
where: short stacking energy: -58.497
Base-Backbone interact. energy: -0.365
local terms energy: -76.126727
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -14.471
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: 9
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -173.335371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.335371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.335371 (E_RNA)
where:
Base-Base interactions energy: -106.443
where: short stacking energy: -56.376
Base-Backbone interact. energy: -0.114
local terms energy: -66.778545
where:
bonds (distance) C4'-P energy: -9.333
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -9.358
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: 5, replica: 3
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -159.459597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.459597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.459597 (E_RNA)
where:
Base-Base interactions energy: -89.095
where: short stacking energy: -48.685
Base-Backbone interact. energy: -0.840
local terms energy: -69.524276
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -9.659
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: 6, replica: 10
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -155.137248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.137248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.137248 (E_RNA)
where:
Base-Base interactions energy: -87.271
where: short stacking energy: -38.841
Base-Backbone interact. energy: -0.091
local terms energy: -67.775193
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -10.400
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: 114
Temperature: 1.200000
Total energy: -94.299355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.299355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.299355 (E_RNA)
where:
Base-Base interactions energy: -36.439
where: short stacking energy: -31.195
Base-Backbone interact. energy: -0.073
local terms energy: -57.788096
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -11.622
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -5.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -95.513306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.513306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.513306 (E_RNA)
where:
Base-Base interactions energy: -45.811
where: short stacking energy: -18.044
Base-Backbone interact. energy: 0.308
local terms energy: -50.010328
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -10.481
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -0.264
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: 9, replica: 6
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -87.340295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.340295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.340295 (E_RNA)
where:
Base-Base interactions energy: -28.522
where: short stacking energy: -27.245
Base-Backbone interact. energy: -0.270
local terms energy: -58.548196
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -3.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -75.904315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.904315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.904315 (E_RNA)
where:
Base-Base interactions energy: -30.712
where: short stacking energy: -24.971
Base-Backbone interact. energy: -0.263
local terms energy: -44.928881
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -8.409
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: 2.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -213.166050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.166050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.166050 (E_RNA)
where:
Base-Base interactions energy: -137.236
where: short stacking energy: -68.094
Base-Backbone interact. energy: -0.289
local terms energy: -75.640573
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -17.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -218.361845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.361845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.361845 (E_RNA)
where:
Base-Base interactions energy: -145.982
where: short stacking energy: -61.810
Base-Backbone interact. energy: -0.022
local terms energy: -72.358201
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -20.399
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: 5
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -191.908021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.908021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.908021 (E_RNA)
where:
Base-Base interactions energy: -121.592
where: short stacking energy: -67.719
Base-Backbone interact. energy: -0.444
local terms energy: -69.872071
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -15.129
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: 9
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -175.787560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.787560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.787560 (E_RNA)
where:
Base-Base interactions energy: -112.327
where: short stacking energy: -61.932
Base-Backbone interact. energy: -0.002
local terms energy: -63.459116
where:
bonds (distance) C4'-P energy: -9.605
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -18.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -179.178223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.178223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.178223 (E_RNA)
where:
Base-Base interactions energy: -116.928
where: short stacking energy: -52.323
Base-Backbone interact. energy: -0.194
local terms energy: -62.056665
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -13.231
tors. eta vs tors. theta energy: -10.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -149.243596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.243596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.243596 (E_RNA)
where:
Base-Base interactions energy: -87.484
where: short stacking energy: -44.147
Base-Backbone interact. energy: -0.242
local terms energy: -61.517366
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -4.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -85.311623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.311623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.311623 (E_RNA)
where:
Base-Base interactions energy: -27.982
where: short stacking energy: -27.982
Base-Backbone interact. energy: 0.128
local terms energy: -57.457813
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -15.337
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -5.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -88.427432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.427432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.427432 (E_RNA)
where:
Base-Base interactions energy: -36.617
where: short stacking energy: -36.617
Base-Backbone interact. energy: -0.003
local terms energy: -51.807558
where:
bonds (distance) C4'-P energy: -9.790
bonds (distance) P-C4' energy: -9.364
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -8.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -80.348961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.348961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.348961 (E_RNA)
where:
Base-Base interactions energy: -34.654
where: short stacking energy: -24.969
Base-Backbone interact. energy: 0.679
local terms energy: -46.373918
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -11.882
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -4.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -82.586508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.586508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.586508 (E_RNA)
where:
Base-Base interactions energy: -34.084
where: short stacking energy: -24.829
Base-Backbone interact. energy: -0.239
local terms energy: -48.263995
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: 3.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -219.874194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.874194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.874194 (E_RNA)
where:
Base-Base interactions energy: -142.995
where: short stacking energy: -60.361
Base-Backbone interact. energy: -0.087
local terms energy: -76.792051
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -21.395
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: 116
Temperature: 0.950000
Total energy: -205.513769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.513769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.513769 (E_RNA)
where:
Base-Base interactions energy: -131.207
where: short stacking energy: -69.527
Base-Backbone interact. energy: -0.604
local terms energy: -73.703497
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -21.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -177.295646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.295646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.295646 (E_RNA)
where:
Base-Base interactions energy: -112.511
where: short stacking energy: -55.320
Base-Backbone interact. energy: -0.882
local terms energy: -63.902750
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -11.440
flat angles P-C4'-P energy: -8.700
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: 5
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -188.720596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.720596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.720596 (E_RNA)
where:
Base-Base interactions energy: -126.836
where: short stacking energy: -64.055
Base-Backbone interact. energy: -0.129
local terms energy: -61.755194
where:
bonds (distance) C4'-P energy: -10.710
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -4.910
tors. eta vs tors. theta energy: -18.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -154.580400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.580400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.580400 (E_RNA)
where:
Base-Base interactions energy: -92.201
where: short stacking energy: -53.570
Base-Backbone interact. energy: -1.257
local terms energy: -61.123002
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -7.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -156.690645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.690645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.690645 (E_RNA)
where:
Base-Base interactions energy: -98.845
where: short stacking energy: -43.496
Base-Backbone interact. energy: 1.967
local terms energy: -59.812210
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -4.145
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: 7, replica: 6
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -100.607457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.607457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.607457 (E_RNA)
where:
Base-Base interactions energy: -36.806
where: short stacking energy: -32.762
Base-Backbone interact. energy: -0.052
local terms energy: -63.749628
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -6.503
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: 116
Temperature: 1.250000
Total energy: -90.101333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.101333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.101333 (E_RNA)
where:
Base-Base interactions energy: -36.306
where: short stacking energy: -34.714
Base-Backbone interact. energy: -0.116
local terms energy: -53.678685
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -7.747
tors. eta vs tors. theta energy: -0.020
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: 7
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -76.060283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.060283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.060283 (E_RNA)
where:
Base-Base interactions energy: -35.860
where: short stacking energy: -18.383
Base-Backbone interact. energy: -1.327
local terms energy: -38.873637
where:
bonds (distance) C4'-P energy: -1.648
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: 0.258
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: 10, replica: 4
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -80.957867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.957867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.957867 (E_RNA)
where:
Base-Base interactions energy: -42.625
where: short stacking energy: -29.761
Base-Backbone interact. energy: -0.385
local terms energy: -37.947510
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -10.715
flat angles P-C4'-P energy: -3.113
tors. eta vs tors. theta energy: 1.031
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: 1, replica: 8
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -223.208988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.208988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.208988 (E_RNA)
where:
Base-Base interactions energy: -141.052
where: short stacking energy: -71.495
Base-Backbone interact. energy: -0.010
local terms energy: -82.147430
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -17.517
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -21.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -196.113198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.113198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.113198 (E_RNA)
where:
Base-Base interactions energy: -120.616
where: short stacking energy: -55.692
Base-Backbone interact. energy: -0.455
local terms energy: -75.041885
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -18.365
flat angles P-C4'-P energy: -6.899
tors. eta vs tors. theta energy: -18.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -194.971510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.971510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.971510 (E_RNA)
where:
Base-Base interactions energy: -124.632
where: short stacking energy: -58.953
Base-Backbone interact. energy: 0.950
local terms energy: -71.289310
where:
bonds (distance) C4'-P energy: -10.374
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -16.151
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: 4, replica: 5
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -184.027385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.027385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.027385 (E_RNA)
where:
Base-Base interactions energy: -112.722
where: short stacking energy: -59.239
Base-Backbone interact. energy: -0.658
local terms energy: -70.647419
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -12.926
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: 10
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -159.741446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.741446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.741446 (E_RNA)
where:
Base-Base interactions energy: -94.618
where: short stacking energy: -45.973
Base-Backbone interact. energy: -0.024
local terms energy: -65.099208
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -13.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -172.605162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.605162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.605162 (E_RNA)
where:
Base-Base interactions energy: -106.547
where: short stacking energy: -59.912
Base-Backbone interact. energy: -0.133
local terms energy: -65.925333
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: -5.223
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: 7, replica: 6
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -98.263280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.263280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.263280 (E_RNA)
where:
Base-Base interactions energy: -48.176
where: short stacking energy: -41.286
Base-Backbone interact. energy: 0.431
local terms energy: -50.518710
where:
bonds (distance) C4'-P energy: -7.918
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -4.623
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: 1
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -98.328076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.328076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.328076 (E_RNA)
where:
Base-Base interactions energy: -34.622
where: short stacking energy: -34.622
Base-Backbone interact. energy: -0.027
local terms energy: -63.678848
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -10.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -89.608347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.608347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.608347 (E_RNA)
where:
Base-Base interactions energy: -34.093
where: short stacking energy: -34.093
Base-Backbone interact. energy: -0.147
local terms energy: -55.367793
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -2.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -74.201462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.201462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.201462 (E_RNA)
where:
Base-Base interactions energy: -21.829
where: short stacking energy: -21.829
Base-Backbone interact. energy: -0.285
local terms energy: -52.087676
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -2.039
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: 8
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -218.508508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.508508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.508508 (E_RNA)
where:
Base-Base interactions energy: -135.778
where: short stacking energy: -72.099
Base-Backbone interact. energy: -0.056
local terms energy: -82.674576
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -22.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -191.846514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.846514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.846514 (E_RNA)
where:
Base-Base interactions energy: -119.238
where: short stacking energy: -63.699
Base-Backbone interact. energy: -0.395
local terms energy: -72.213674
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -19.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -186.997147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.997147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.997147 (E_RNA)
where:
Base-Base interactions energy: -120.344
where: short stacking energy: -66.525
Base-Backbone interact. energy: -0.017
local terms energy: -66.636823
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -15.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -197.710979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.710979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.710979 (E_RNA)
where:
Base-Base interactions energy: -127.739
where: short stacking energy: -65.586
Base-Backbone interact. energy: -0.275
local terms energy: -69.696803
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -10.076
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -21.469
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: 3
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -177.367676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.367676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.367676 (E_RNA)
where:
Base-Base interactions energy: -105.849
where: short stacking energy: -50.413
Base-Backbone interact. energy: -0.347
local terms energy: -71.172268
where:
bonds (distance) C4'-P energy: -10.566
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -11.206
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: 6, replica: 10
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -151.236676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.236676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.236676 (E_RNA)
where:
Base-Base interactions energy: -94.733
where: short stacking energy: -58.807
Base-Backbone interact. energy: 2.695
local terms energy: -59.198582
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -6.922
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: 7, replica: 1
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -96.714411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.714411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.714411 (E_RNA)
where:
Base-Base interactions energy: -47.417
where: short stacking energy: -25.194
Base-Backbone interact. energy: -1.180
local terms energy: -48.117740
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: 2.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -88.786765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.786765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.786765 (E_RNA)
where:
Base-Base interactions energy: -36.452
where: short stacking energy: -16.623
Base-Backbone interact. energy: 1.615
local terms energy: -53.950302
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -2.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -74.943829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.943829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.943829 (E_RNA)
where:
Base-Base interactions energy: -25.934
where: short stacking energy: -22.909
Base-Backbone interact. energy: -0.227
local terms energy: -48.782472
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -11.559
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -2.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -83.482912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.482912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.482912 (E_RNA)
where:
Base-Base interactions energy: -46.398
where: short stacking energy: -20.430
Base-Backbone interact. energy: -0.115
local terms energy: -36.969110
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -5.718
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -2.211
tors. eta vs tors. theta energy: -3.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -220.005412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.005412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.005412 (E_RNA)
where:
Base-Base interactions energy: -137.528
where: short stacking energy: -65.705
Base-Backbone interact. energy: -0.822
local terms energy: -81.655549
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -20.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -192.745383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.745383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.745383 (E_RNA)
where:
Base-Base interactions energy: -120.900
where: short stacking energy: -58.426
Base-Backbone interact. energy: 0.111
local terms energy: -71.956811
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -11.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -192.741885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.741885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.741885 (E_RNA)
where:
Base-Base interactions energy: -119.362
where: short stacking energy: -72.863
Base-Backbone interact. energy: -0.000
local terms energy: -73.379091
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -19.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -197.087335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.087335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.087335 (E_RNA)
where:
Base-Base interactions energy: -127.795
where: short stacking energy: -59.386
Base-Backbone interact. energy: -0.043
local terms energy: -69.249484
where:
bonds (distance) C4'-P energy: -11.729
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -15.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -172.548834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.548834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.548834 (E_RNA)
where:
Base-Base interactions energy: -106.426
where: short stacking energy: -55.468
Base-Backbone interact. energy: -0.221
local terms energy: -65.902198
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -11.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -131.717447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.717447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.717447 (E_RNA)
where:
Base-Base interactions energy: -73.731
where: short stacking energy: -34.055
Base-Backbone interact. energy: -0.289
local terms energy: -57.696825
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -3.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -97.119244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.119244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.119244 (E_RNA)
where:
Base-Base interactions energy: -46.132
where: short stacking energy: -28.776
Base-Backbone interact. energy: -0.151
local terms energy: -50.836002
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -11.451
flat angles P-C4'-P energy: -6.405
tors. eta vs tors. theta energy: -5.230
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: 8, replica: 6
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -94.232606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.232606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.232606 (E_RNA)
where:
Base-Base interactions energy: -33.123
where: short stacking energy: -26.183
Base-Backbone interact. energy: -0.097
local terms energy: -61.013232
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -6.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -82.635061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.635061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.635061 (E_RNA)
where:
Base-Base interactions energy: -35.892
where: short stacking energy: -23.226
Base-Backbone interact. energy: -0.780
local terms energy: -45.963673
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -10.725
flat angles C4'-P-C4' energy: -9.435
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -4.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -79.183653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.183653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.183653 (E_RNA)
where:
Base-Base interactions energy: -35.973
where: short stacking energy: -34.015
Base-Backbone interact. energy: 0.197
local terms energy: -43.407603
where:
bonds (distance) C4'-P energy: -10.434
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -3.525
tors. eta vs tors. theta energy: -1.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -225.610352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.610352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.610352 (E_RNA)
where:
Base-Base interactions energy: -151.145
where: short stacking energy: -74.465
Base-Backbone interact. energy: -0.008
local terms energy: -74.456621
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -2.822
tors. eta vs tors. theta energy: -23.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -187.956501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.956501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.956501 (E_RNA)
where:
Base-Base interactions energy: -111.336
where: short stacking energy: -58.771
Base-Backbone interact. energy: -0.124
local terms energy: -76.496066
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -17.732
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -18.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -209.774736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.774736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.774736 (E_RNA)
where:
Base-Base interactions energy: -135.563
where: short stacking energy: -66.038
Base-Backbone interact. energy: -0.013
local terms energy: -74.199020
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -18.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -195.182987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.182987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.182987 (E_RNA)
where:
Base-Base interactions energy: -120.209
where: short stacking energy: -70.027
Base-Backbone interact. energy: -0.093
local terms energy: -74.880809
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -12.007
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: 5, replica: 10
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -156.182273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.182273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.182273 (E_RNA)
where:
Base-Base interactions energy: -91.228
where: short stacking energy: -50.550
Base-Backbone interact. energy: -1.705
local terms energy: -63.249292
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -10.592
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -14.843
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: 6, replica: 3
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -167.124916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.124916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.124916 (E_RNA)
where:
Base-Base interactions energy: -109.721
where: short stacking energy: -50.699
Base-Backbone interact. energy: -0.067
local terms energy: -57.337368
where:
bonds (distance) C4'-P energy: -11.376
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -11.303
flat angles P-C4'-P energy: -9.423
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: 120
Temperature: 1.200000
Total energy: -103.585333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.585333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.585333 (E_RNA)
where:
Base-Base interactions energy: -36.524
where: short stacking energy: -32.450
Base-Backbone interact. energy: -0.461
local terms energy: -66.600929
where:
bonds (distance) C4'-P energy: -17.337
bonds (distance) P-C4' energy: -10.627
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -11.112
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: 1
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -88.812994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.812994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.812994 (E_RNA)
where:
Base-Base interactions energy: -42.612
where: short stacking energy: -33.363
Base-Backbone interact. energy: 0.732
local terms energy: -46.932653
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -9.928
flat angles C4'-P-C4' energy: -7.308
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -3.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -86.723767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.723767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.723767 (E_RNA)
where:
Base-Base interactions energy: -30.581
where: short stacking energy: -29.588
Base-Backbone interact. energy: -0.856
local terms energy: -55.286119
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -18.261
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -3.274
tors. eta vs tors. theta energy: -4.504
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: 4
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -75.650461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.650461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.650461 (E_RNA)
where:
Base-Base interactions energy: -19.403
where: short stacking energy: -13.865
Base-Backbone interact. energy: -0.352
local terms energy: -55.895180
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -9.112
flat angles P-C4'-P energy: -11.476
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: 1, replica: 8
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -223.344215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.344215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.344215 (E_RNA)
where:
Base-Base interactions energy: -153.350
where: short stacking energy: -71.026
Base-Backbone interact. energy: -0.009
local terms energy: -69.984861
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -12.456
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -19.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -215.762240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.762240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.762240 (E_RNA)
where:
Base-Base interactions energy: -143.338
where: short stacking energy: -63.350
Base-Backbone interact. energy: -1.200
local terms energy: -71.224164
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -10.682
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -20.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -195.560888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.560888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.560888 (E_RNA)
where:
Base-Base interactions energy: -121.008
where: short stacking energy: -62.661
Base-Backbone interact. energy: -0.602
local terms energy: -73.951138
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: -18.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -173.858639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.858639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.858639 (E_RNA)
where:
Base-Base interactions energy: -101.872
where: short stacking energy: -54.566
Base-Backbone interact. energy: -0.406
local terms energy: -71.581346
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -15.584
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: 5
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -172.928270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.928270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.928270 (E_RNA)
where:
Base-Base interactions energy: -107.658
where: short stacking energy: -53.899
Base-Backbone interact. energy: -0.426
local terms energy: -64.844990
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -13.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -144.488908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.488908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.488908 (E_RNA)
where:
Base-Base interactions energy: -79.362
where: short stacking energy: -42.719
Base-Backbone interact. energy: -0.358
local terms energy: -64.768873
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -8.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -112.215405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.215405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.215405 (E_RNA)
where:
Base-Base interactions energy: -56.994
where: short stacking energy: -34.338
Base-Backbone interact. energy: -0.298
local terms energy: -54.923482
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -1.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -94.110333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.110333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.110333 (E_RNA)
where:
Base-Base interactions energy: -40.341
where: short stacking energy: -40.341
Base-Backbone interact. energy: -0.112
local terms energy: -53.658019
where:
bonds (distance) C4'-P energy: -9.167
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -11.301
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -7.505
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: 1
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -84.001346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.001346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.001346 (E_RNA)
where:
Base-Base interactions energy: -39.323
where: short stacking energy: -35.927
Base-Backbone interact. energy: -0.283
local terms energy: -44.395679
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -12.084
flat angles C4'-P-C4' energy: -8.901
flat angles P-C4'-P energy: -5.104
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: 10, replica: 4
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -77.842217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.842217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.842217 (E_RNA)
where:
Base-Base interactions energy: -32.739
where: short stacking energy: -32.165
Base-Backbone interact. energy: -0.110
local terms energy: -44.993450
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -9.288
flat angles C4'-P-C4' energy: -8.142
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -4.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -227.560250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.560250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.560250 (E_RNA)
where:
Base-Base interactions energy: -148.412
where: short stacking energy: -72.016
Base-Backbone interact. energy: -0.712
local terms energy: -78.436744
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -17.911
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -18.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -219.864711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.864711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.864711 (E_RNA)
where:
Base-Base interactions energy: -146.496
where: short stacking energy: -71.519
Base-Backbone interact. energy: -0.019
local terms energy: -73.350059
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -17.056
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -17.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -194.436127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.436127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.436127 (E_RNA)
where:
Base-Base interactions energy: -125.492
where: short stacking energy: -51.364
Base-Backbone interact. energy: -1.634
local terms energy: -67.310131
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -12.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -168.370026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.370026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.370026 (E_RNA)
where:
Base-Base interactions energy: -103.389
where: short stacking energy: -46.902
Base-Backbone interact. energy: -0.009
local terms energy: -64.971519
where:
bonds (distance) C4'-P energy: -5.496
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -13.181
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: 3
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -184.712341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.712341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.712341 (E_RNA)
where:
Base-Base interactions energy: -117.865
where: short stacking energy: -56.815
Base-Backbone interact. energy: -0.001
local terms energy: -66.846881
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -10.907
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -13.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -166.091933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.091933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.091933 (E_RNA)
where:
Base-Base interactions energy: -111.396
where: short stacking energy: -47.782
Base-Backbone interact. energy: -0.501
local terms energy: -54.194591
where:
bonds (distance) C4'-P energy: -6.084
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -11.363
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -13.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -97.832215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.832215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.832215 (E_RNA)
where:
Base-Base interactions energy: -41.356
where: short stacking energy: -29.895
Base-Backbone interact. energy: -0.042
local terms energy: -56.434153
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -7.992
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: 8, replica: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -83.179518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.179518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.179518 (E_RNA)
where:
Base-Base interactions energy: -34.979
where: short stacking energy: -19.773
Base-Backbone interact. energy: 1.201
local terms energy: -49.401271
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: 1.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -83.740187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.740187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.740187 (E_RNA)
where:
Base-Base interactions energy: -33.929
where: short stacking energy: -27.097
Base-Backbone interact. energy: -0.441
local terms energy: -49.369624
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -9.981
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -5.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -79.420923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.420923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.420923 (E_RNA)
where:
Base-Base interactions energy: -32.260
where: short stacking energy: -24.265
Base-Backbone interact. energy: -0.312
local terms energy: -46.848489
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -10.879
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -3.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -223.131732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.131732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.131732 (E_RNA)
where:
Base-Base interactions energy: -144.481
where: short stacking energy: -68.563
Base-Backbone interact. energy: -0.401
local terms energy: -78.249798
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -21.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -217.261768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.261768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.261768 (E_RNA)
where:
Base-Base interactions energy: -136.595
where: short stacking energy: -65.519
Base-Backbone interact. energy: -0.025
local terms energy: -80.641443
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -20.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -194.258606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.258606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.258606 (E_RNA)
where:
Base-Base interactions energy: -117.235
where: short stacking energy: -56.979
Base-Backbone interact. energy: -0.648
local terms energy: -76.376581
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -12.196
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: 4, replica: 3
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -185.134013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.134013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.134013 (E_RNA)
where:
Base-Base interactions energy: -117.055
where: short stacking energy: -59.189
Base-Backbone interact. energy: -0.055
local terms energy: -68.023581
where:
bonds (distance) C4'-P energy: -8.853
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -15.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -160.256220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.256220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.256220 (E_RNA)
where:
Base-Base interactions energy: -105.540
where: short stacking energy: -56.467
Base-Backbone interact. energy: -0.025
local terms energy: -54.692090
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -4.709
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: 6, replica: 5
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -172.662837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.662837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.662837 (E_RNA)
where:
Base-Base interactions energy: -109.275
where: short stacking energy: -39.548
Base-Backbone interact. energy: -1.676
local terms energy: -61.711406
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -12.221
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -11.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -111.848018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.848018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.848018 (E_RNA)
where:
Base-Base interactions energy: -55.333
where: short stacking energy: -43.514
Base-Backbone interact. energy: -0.500
local terms energy: -56.015125
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -8.143
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: 8, replica: 4
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -97.666348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.666348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.666348 (E_RNA)
where:
Base-Base interactions energy: -42.185
where: short stacking energy: -34.635
Base-Backbone interact. energy: 1.420
local terms energy: -56.901142
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -10.226
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -7.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -82.227221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.227221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.227221 (E_RNA)
where:
Base-Base interactions energy: -28.924
where: short stacking energy: -28.924
Base-Backbone interact. energy: -0.981
local terms energy: -52.322574
where:
bonds (distance) C4'-P energy: -9.530
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -5.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -76.811774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.811774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.811774 (E_RNA)
where:
Base-Base interactions energy: -26.867
where: short stacking energy: -24.683
Base-Backbone interact. energy: -0.122
local terms energy: -49.823089
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -7.293
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: 2
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -221.336904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.336904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.336904 (E_RNA)
where:
Base-Base interactions energy: -146.212
where: short stacking energy: -69.942
Base-Backbone interact. energy: -0.011
local terms energy: -75.113970
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -20.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -216.341291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.341291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.341291 (E_RNA)
where:
Base-Base interactions energy: -146.618
where: short stacking energy: -66.240
Base-Backbone interact. energy: -0.011
local terms energy: -69.711651
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -11.663
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -10.335
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: 3, replica: 9
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -194.615293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.615293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.615293 (E_RNA)
where:
Base-Base interactions energy: -125.272
where: short stacking energy: -51.459
Base-Backbone interact. energy: -0.176
local terms energy: -69.167099
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -13.826
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -17.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -171.621029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.621029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.621029 (E_RNA)
where:
Base-Base interactions energy: -102.470
where: short stacking energy: -56.913
Base-Backbone interact. energy: -0.009
local terms energy: -69.142701
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -10.992
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -11.769
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: 5, replica: 5
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -178.579432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.579432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.579432 (E_RNA)
where:
Base-Base interactions energy: -111.683
where: short stacking energy: -56.037
Base-Backbone interact. energy: -0.131
local terms energy: -66.765794
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -6.811
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: 6, replica: 10
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -149.033223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.033223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.033223 (E_RNA)
where:
Base-Base interactions energy: -94.032
where: short stacking energy: -45.045
Base-Backbone interact. energy: -0.686
local terms energy: -54.314989
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -11.631
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -6.016
tors. eta vs tors. theta energy: -8.442
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: 4
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -121.060218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.060218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.060218 (E_RNA)
where:
Base-Base interactions energy: -70.010
where: short stacking energy: -34.583
Base-Backbone interact. energy: -0.163
local terms energy: -50.887501
where:
bonds (distance) C4'-P energy: -9.888
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -5.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -111.272785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.272785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.272785 (E_RNA)
where:
Base-Base interactions energy: -59.031
where: short stacking energy: -45.326
Base-Backbone interact. energy: -0.077
local terms energy: -52.164470
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -5.892
tors. eta vs tors. theta energy: -8.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -75.154960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.154960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.154960 (E_RNA)
where:
Base-Base interactions energy: -36.659
where: short stacking energy: -27.760
Base-Backbone interact. energy: -0.896
local terms energy: -37.599078
where:
bonds (distance) C4'-P energy: -5.068
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -3.920
tors. eta vs tors. theta energy: 0.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -78.258668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.258668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.258668 (E_RNA)
where:
Base-Base interactions energy: -33.573
where: short stacking energy: -30.183
Base-Backbone interact. energy: 1.160
local terms energy: -45.845575
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -11.178
flat angles P-C4'-P energy: -4.978
tors. eta vs tors. theta energy: -1.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -217.325253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.325253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.325253 (E_RNA)
where:
Base-Base interactions energy: -139.164
where: short stacking energy: -68.204
Base-Backbone interact. energy: -1.144
local terms energy: -77.017069
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -11.437
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: 2, replica: 8
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -224.225340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.225340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.225340 (E_RNA)
where:
Base-Base interactions energy: -154.957
where: short stacking energy: -68.086
Base-Backbone interact. energy: -0.109
local terms energy: -69.158652
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -11.414
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -18.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -192.151391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.151391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.151391 (E_RNA)
where:
Base-Base interactions energy: -126.143
where: short stacking energy: -48.500
Base-Backbone interact. energy: -1.397
local terms energy: -64.611276
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -9.738
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -14.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -177.820470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.820470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.820470 (E_RNA)
where:
Base-Base interactions energy: -117.377
where: short stacking energy: -61.998
Base-Backbone interact. energy: -0.000
local terms energy: -60.443225
where:
bonds (distance) C4'-P energy: -11.687
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -5.718
tors. eta vs tors. theta energy: -15.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -154.386939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.386939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.386939 (E_RNA)
where:
Base-Base interactions energy: -93.179
where: short stacking energy: -53.797
Base-Backbone interact. energy: 0.571
local terms energy: -61.779056
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -11.209
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -14.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -168.940954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.940954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.940954 (E_RNA)
where:
Base-Base interactions energy: -102.068
where: short stacking energy: -53.258
Base-Backbone interact. energy: 1.491
local terms energy: -68.364375
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -16.248
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: 4
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -122.441611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.441611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.441611 (E_RNA)
where:
Base-Base interactions energy: -66.191
where: short stacking energy: -34.888
Base-Backbone interact. energy: -0.538
local terms energy: -55.711943
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -12.751
flat angles C4'-P-C4' energy: -11.008
flat angles P-C4'-P energy: -14.577
tors. eta vs tors. theta energy: -3.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -83.396599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.396599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.396599 (E_RNA)
where:
Base-Base interactions energy: -36.919
where: short stacking energy: -35.297
Base-Backbone interact. energy: -0.038
local terms energy: -46.439553
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -6.904
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -2.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -100.981479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.981479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.981479 (E_RNA)
where:
Base-Base interactions energy: -43.932
where: short stacking energy: -39.265
Base-Backbone interact. energy: -0.022
local terms energy: -57.027839
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -5.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -73.644317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.644317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.644317 (E_RNA)
where:
Base-Base interactions energy: -28.878
where: short stacking energy: -28.878
Base-Backbone interact. energy: -0.109
local terms energy: -44.657818
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -5.258
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -0.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -222.895006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.895006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.895006 (E_RNA)
where:
Base-Base interactions energy: -144.322
where: short stacking energy: -63.179
Base-Backbone interact. energy: -0.366
local terms energy: -78.206956
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -18.640
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: 8
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -223.219507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.219507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.219507 (E_RNA)
where:
Base-Base interactions energy: -156.504
where: short stacking energy: -66.954
Base-Backbone interact. energy: -0.020
local terms energy: -66.695627
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -6.319
tors. eta vs tors. theta energy: -19.219
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: 5
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -186.773177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.773177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.773177 (E_RNA)
where:
Base-Base interactions energy: -114.523
where: short stacking energy: -57.864
Base-Backbone interact. energy: -0.045
local terms energy: -72.204626
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -16.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -184.621632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.621632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.621632 (E_RNA)
where:
Base-Base interactions energy: -112.414
where: short stacking energy: -56.927
Base-Backbone interact. energy: -0.244
local terms energy: -71.963125
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -11.078
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: 5, replica: 10
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -162.756871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.756871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.756871 (E_RNA)
where:
Base-Base interactions energy: -102.739
where: short stacking energy: -48.734
Base-Backbone interact. energy: -1.337
local terms energy: -58.681076
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -14.334
flat angles C4'-P-C4' energy: -10.993
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -7.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -164.939772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.939772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.939772 (E_RNA)
where:
Base-Base interactions energy: -101.911
where: short stacking energy: -51.548
Base-Backbone interact. energy: -0.520
local terms energy: -62.509392
where:
bonds (distance) C4'-P energy: -11.421
bonds (distance) P-C4' energy: -12.605
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -13.054
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: 7, replica: 1
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -93.448131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.448131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.448131 (E_RNA)
where:
Base-Base interactions energy: -32.125
where: short stacking energy: -28.843
Base-Backbone interact. energy: -0.426
local terms energy: -60.897711
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -6.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -89.779607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.779607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.779607 (E_RNA)
where:
Base-Base interactions energy: -41.295
where: short stacking energy: -26.223
Base-Backbone interact. energy: 0.683
local terms energy: -49.166762
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -10.707
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -5.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -84.053525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.053525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.053525 (E_RNA)
where:
Base-Base interactions energy: -35.521
where: short stacking energy: -26.396
Base-Backbone interact. energy: -0.247
local terms energy: -48.285339
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -8.282
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: 1.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -77.552069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.552069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.552069 (E_RNA)
where:
Base-Base interactions energy: -31.252
where: short stacking energy: -15.706
Base-Backbone interact. energy: -0.598
local terms energy: -45.703000
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -4.044
tors. eta vs tors. theta energy: -0.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -217.847209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.847209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.847209 (E_RNA)
where:
Base-Base interactions energy: -145.027
where: short stacking energy: -73.763
Base-Backbone interact. energy: -0.056
local terms energy: -72.763919
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -12.386
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -21.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -217.502131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.502131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.502131 (E_RNA)
where:
Base-Base interactions energy: -143.894
where: short stacking energy: -66.038
Base-Backbone interact. energy: -0.038
local terms energy: -73.569355
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -10.740
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -12.502
tors. eta vs tors. theta energy: -19.823
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: 127
Temperature: 1.000000
Total energy: -196.324341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.324341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.324341 (E_RNA)
where:
Base-Base interactions energy: -129.718
where: short stacking energy: -66.890
Base-Backbone interact. energy: -0.071
local terms energy: -66.535833
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -11.710
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -15.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -166.934332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.934332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.934332 (E_RNA)
where:
Base-Base interactions energy: -102.174
where: short stacking energy: -51.523
Base-Backbone interact. energy: -0.105
local terms energy: -64.654945
where:
bonds (distance) C4'-P energy: -10.644
bonds (distance) P-C4' energy: -17.720
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -9.777
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: 5, replica: 9
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -183.218625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.218625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.218625 (E_RNA)
where:
Base-Base interactions energy: -112.470
where: short stacking energy: -64.030
Base-Backbone interact. energy: -0.001
local terms energy: -70.747742
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -18.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -142.519488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.519488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.519488 (E_RNA)
where:
Base-Base interactions energy: -82.514
where: short stacking energy: -42.979
Base-Backbone interact. energy: 0.093
local terms energy: -60.098234
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -5.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -97.380684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.380684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.380684 (E_RNA)
where:
Base-Base interactions energy: -46.078
where: short stacking energy: -37.543
Base-Backbone interact. energy: -0.192
local terms energy: -51.110638
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -4.955
tors. eta vs tors. theta energy: -5.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -95.553300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.553300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.553300 (E_RNA)
where:
Base-Base interactions energy: -43.014
where: short stacking energy: -32.142
Base-Backbone interact. energy: -0.015
local terms energy: -52.524266
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -11.326
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -4.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -78.621009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.621009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.621009 (E_RNA)
where:
Base-Base interactions energy: -29.235
where: short stacking energy: -29.235
Base-Backbone interact. energy: -0.089
local terms energy: -49.297180
where:
bonds (distance) C4'-P energy: -5.885
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -2.864
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: 7
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -83.819338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.819338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.819338 (E_RNA)
where:
Base-Base interactions energy: -30.968
where: short stacking energy: -28.048
Base-Backbone interact. energy: -0.548
local terms energy: -52.302733
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -0.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -226.505814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.505814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.505814 (E_RNA)
where:
Base-Base interactions energy: -147.837
where: short stacking energy: -71.720
Base-Backbone interact. energy: -0.064
local terms energy: -78.604322
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -21.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -220.469849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.469849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.469849 (E_RNA)
where:
Base-Base interactions energy: -145.613
where: short stacking energy: -69.358
Base-Backbone interact. energy: -0.260
local terms energy: -74.596834
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -18.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -194.587813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.587813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.587813 (E_RNA)
where:
Base-Base interactions energy: -122.871
where: short stacking energy: -67.475
Base-Backbone interact. energy: -0.599
local terms energy: -71.118404
where:
bonds (distance) C4'-P energy: -11.732
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -18.597
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: 10
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -189.750249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.750249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.750249 (E_RNA)
where:
Base-Base interactions energy: -127.315
where: short stacking energy: -64.847
Base-Backbone interact. energy: -0.014
local terms energy: -62.420725
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -9.190
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -5.718
tors. eta vs tors. theta energy: -18.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -155.285308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.285308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.285308 (E_RNA)
where:
Base-Base interactions energy: -97.363
where: short stacking energy: -54.868
Base-Backbone interact. energy: -0.126
local terms energy: -57.795801
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -8.228
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: 6, replica: 9
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -162.125267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.125267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.125267 (E_RNA)
where:
Base-Base interactions energy: -97.967
where: short stacking energy: -57.899
Base-Backbone interact. energy: -0.560
local terms energy: -63.598482
where:
bonds (distance) C4'-P energy: -11.065
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -12.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -89.332900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.332900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.332900 (E_RNA)
where:
Base-Base interactions energy: -41.660
where: short stacking energy: -29.574
Base-Backbone interact. energy: -0.627
local terms energy: -47.046582
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -5.919
tors. eta vs tors. theta energy: -4.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -92.664893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.664893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.664893 (E_RNA)
where:
Base-Base interactions energy: -41.643
where: short stacking energy: -25.828
Base-Backbone interact. energy: -0.221
local terms energy: -50.800430
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -6.084
tors. eta vs tors. theta energy: -2.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -88.057087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.057087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.057087 (E_RNA)
where:
Base-Base interactions energy: -30.537
where: short stacking energy: -30.138
Base-Backbone interact. energy: -0.032
local terms energy: -57.487998
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -13.899
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: 4
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -85.065821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.065821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.065821 (E_RNA)
where:
Base-Base interactions energy: -37.341
where: short stacking energy: -37.341
Base-Backbone interact. energy: -0.113
local terms energy: -47.611837
where:
bonds (distance) C4'-P energy: -9.127
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -8.392
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: 8
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -221.893574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.893574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.893574 (E_RNA)
where:
Base-Base interactions energy: -143.390
where: short stacking energy: -63.208
Base-Backbone interact. energy: -0.022
local terms energy: -78.481109
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -20.771
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: 2
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -222.900565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.900565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.900565 (E_RNA)
where:
Base-Base interactions energy: -149.151
where: short stacking energy: -68.267
Base-Backbone interact. energy: -0.006
local terms energy: -73.744305
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -14.544
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -20.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -174.118418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.118418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.118418 (E_RNA)
where:
Base-Base interactions energy: -106.127
where: short stacking energy: -55.292
Base-Backbone interact. energy: -0.010
local terms energy: -67.981751
where:
bonds (distance) C4'-P energy: -10.825
bonds (distance) P-C4' energy: -13.987
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -11.983
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: 4, replica: 3
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -159.132501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.132501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.132501 (E_RNA)
where:
Base-Base interactions energy: -94.245
where: short stacking energy: -57.633
Base-Backbone interact. energy: -0.036
local terms energy: -64.851451
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -12.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -172.189587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.189587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.189587 (E_RNA)
where:
Base-Base interactions energy: -103.645
where: short stacking energy: -45.702
Base-Backbone interact. energy: -0.881
local terms energy: -67.663587
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -16.500
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: 6
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -118.853723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.853723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.853723 (E_RNA)
where:
Base-Base interactions energy: -67.297
where: short stacking energy: -36.766
Base-Backbone interact. energy: 0.655
local terms energy: -52.211763
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -9.169
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -2.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -164.831419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.831419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.831419 (E_RNA)
where:
Base-Base interactions energy: -101.588
where: short stacking energy: -57.598
Base-Backbone interact. energy: -0.005
local terms energy: -63.238645
where:
bonds (distance) C4'-P energy: -9.252
bonds (distance) P-C4' energy: -10.450
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -16.976
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: 7
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -77.876321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.876321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.876321 (E_RNA)
where:
Base-Base interactions energy: -25.818
where: short stacking energy: -18.505
Base-Backbone interact. energy: -0.477
local terms energy: -51.580871
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: 0.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -80.740708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.740708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.740708 (E_RNA)
where:
Base-Base interactions energy: -29.601
where: short stacking energy: -24.823
Base-Backbone interact. energy: -0.143
local terms energy: -50.996781
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -2.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -79.681266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.681266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.681266 (E_RNA)
where:
Base-Base interactions energy: -33.431
where: short stacking energy: -29.518
Base-Backbone interact. energy: 1.088
local terms energy: -47.337507
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -9.057
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -2.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -220.094277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.094277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.094277 (E_RNA)
where:
Base-Base interactions energy: -144.679
where: short stacking energy: -62.571
Base-Backbone interact. energy: -1.059
local terms energy: -74.357210
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -21.858
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: 8
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -225.641458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.641458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.641458 (E_RNA)
where:
Base-Base interactions energy: -148.932
where: short stacking energy: -72.544
Base-Backbone interact. energy: -0.003
local terms energy: -76.707190
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -23.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -169.097615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.097615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.097615 (E_RNA)
where:
Base-Base interactions energy: -100.980
where: short stacking energy: -65.099
Base-Backbone interact. energy: -0.322
local terms energy: -67.794818
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -16.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -182.353448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.353448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.353448 (E_RNA)
where:
Base-Base interactions energy: -116.044
where: short stacking energy: -53.899
Base-Backbone interact. energy: -0.313
local terms energy: -65.996565
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -7.976
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: 5, replica: 10
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -176.463710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.463710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.463710 (E_RNA)
where:
Base-Base interactions energy: -113.692
where: short stacking energy: -58.162
Base-Backbone interact. energy: -0.003
local terms energy: -62.769194
where:
bonds (distance) C4'-P energy: -8.545
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -11.104
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -18.961
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: 6
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -97.908962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.908962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.908962 (E_RNA)
where:
Base-Base interactions energy: -55.332
where: short stacking energy: -19.902
Base-Backbone interact. energy: -0.329
local terms energy: -42.247764
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -7.223
tors. eta vs tors. theta energy: 1.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -147.163559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.163559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.163559 (E_RNA)
where:
Base-Base interactions energy: -81.129
where: short stacking energy: -54.294
Base-Backbone interact. energy: -0.112
local terms energy: -65.922265
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -8.126
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: 8, replica: 7
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -79.219546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.219546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.219546 (E_RNA)
where:
Base-Base interactions energy: -28.294
where: short stacking energy: -27.311
Base-Backbone interact. energy: -0.017
local terms energy: -50.908639
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -11.607
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -2.386
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: 4
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -82.512753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.512753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.512753 (E_RNA)
where:
Base-Base interactions energy: -27.781
where: short stacking energy: -27.781
Base-Backbone interact. energy: -0.040
local terms energy: -54.692258
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -10.212
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: 1
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -83.980614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.980614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.980614 (E_RNA)
where:
Base-Base interactions energy: -30.026
where: short stacking energy: -30.026
Base-Backbone interact. energy: -0.057
local terms energy: -53.898275
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: -5.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -227.273107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.273107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.273107 (E_RNA)
where:
Base-Base interactions energy: -155.176
where: short stacking energy: -59.421
Base-Backbone interact. energy: -1.755
local terms energy: -70.342197
where:
bonds (distance) C4'-P energy: -8.733
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -20.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -220.122616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.122616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.122616 (E_RNA)
where:
Base-Base interactions energy: -147.510
where: short stacking energy: -51.917
Base-Backbone interact. energy: -0.001
local terms energy: -72.611562
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -6.135
tors. eta vs tors. theta energy: -20.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -169.112402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.112402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.112402 (E_RNA)
where:
Base-Base interactions energy: -109.535
where: short stacking energy: -56.008
Base-Backbone interact. energy: -0.317
local terms energy: -59.260565
where:
bonds (distance) C4'-P energy: -8.083
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -8.930
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: 4, replica: 10
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -180.867633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.867633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.867633 (E_RNA)
where:
Base-Base interactions energy: -108.977
where: short stacking energy: -57.261
Base-Backbone interact. energy: -0.027
local terms energy: -71.863985
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -16.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -162.086237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.086237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.086237 (E_RNA)
where:
Base-Base interactions energy: -96.849
where: short stacking energy: -48.416
Base-Backbone interact. energy: -0.404
local terms energy: -64.832568
where:
bonds (distance) C4'-P energy: -17.496
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -6.520
tors. eta vs tors. theta energy: -12.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -151.785426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.785426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.785426 (E_RNA)
where:
Base-Base interactions energy: -90.701
where: short stacking energy: -40.962
Base-Backbone interact. energy: -0.088
local terms energy: -60.996185
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -11.556
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -11.063
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: 7, replica: 6
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -89.062421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.062421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.062421 (E_RNA)
where:
Base-Base interactions energy: -29.115
where: short stacking energy: -29.115
Base-Backbone interact. energy: -0.073
local terms energy: -59.874746
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -2.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -88.772086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.772086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.772086 (E_RNA)
where:
Base-Base interactions energy: -34.047
where: short stacking energy: -29.092
Base-Backbone interact. energy: -0.183
local terms energy: -54.541629
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -12.732
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -6.161
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: 9, replica: 7
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -74.957864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.957864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.957864 (E_RNA)
where:
Base-Base interactions energy: -23.259
where: short stacking energy: -21.811
Base-Backbone interact. energy: -0.292
local terms energy: -51.406246
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -9.619
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -1.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -87.235448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.235448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.235448 (E_RNA)
where:
Base-Base interactions energy: -33.002
where: short stacking energy: -33.002
Base-Backbone interact. energy: -0.043
local terms energy: -54.189826
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -9.208
flat angles P-C4'-P energy: -11.932
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: 8
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -223.480021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.480021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.480021 (E_RNA)
where:
Base-Base interactions energy: -146.225
where: short stacking energy: -64.406
Base-Backbone interact. energy: -1.611
local terms energy: -75.644733
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: -18.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -226.665091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.665091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.665091 (E_RNA)
where:
Base-Base interactions energy: -153.015
where: short stacking energy: -58.363
Base-Backbone interact. energy: -1.548
local terms energy: -72.101561
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -19.933
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: 10
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -192.058087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.058087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.058087 (E_RNA)
where:
Base-Base interactions energy: -121.258
where: short stacking energy: -71.442
Base-Backbone interact. energy: -0.479
local terms energy: -70.321792
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -20.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -175.721031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.721031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.721031 (E_RNA)
where:
Base-Base interactions energy: -107.765
where: short stacking energy: -62.324
Base-Backbone interact. energy: -0.074
local terms energy: -67.881594
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -17.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -176.255091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.255091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.255091 (E_RNA)
where:
Base-Base interactions energy: -106.404
where: short stacking energy: -54.514
Base-Backbone interact. energy: -0.152
local terms energy: -69.699376
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -13.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -170.162501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.162501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.162501 (E_RNA)
where:
Base-Base interactions energy: -107.656
where: short stacking energy: -53.834
Base-Backbone interact. energy: -0.138
local terms energy: -62.367875
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -10.399
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -14.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -96.223031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.223031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.223031 (E_RNA)
where:
Base-Base interactions energy: -48.051
where: short stacking energy: -33.513
Base-Backbone interact. energy: 0.035
local terms energy: -48.206899
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: 0.053
tors. eta vs tors. theta energy: -4.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -89.294906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.294906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.294906 (E_RNA)
where:
Base-Base interactions energy: -34.708
where: short stacking energy: -34.708
Base-Backbone interact. energy: -0.975
local terms energy: -53.611938
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -17.317
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -5.379
tors. eta vs tors. theta energy: -5.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -91.835262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.835262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.835262 (E_RNA)
where:
Base-Base interactions energy: -44.560
where: short stacking energy: -32.744
Base-Backbone interact. energy: -0.065
local terms energy: -47.210983
where:
bonds (distance) C4'-P energy: -8.129
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -9.707
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -3.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -66.719573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.719573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.719573 (E_RNA)
where:
Base-Base interactions energy: -24.224
where: short stacking energy: -24.224
Base-Backbone interact. energy: 2.644
local terms energy: -45.139147
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -3.060
tors. eta vs tors. theta energy: -0.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -218.811445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.811445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.811445 (E_RNA)
where:
Base-Base interactions energy: -137.088
where: short stacking energy: -62.266
Base-Backbone interact. energy: -1.719
local terms energy: -80.005027
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: -19.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -198.502581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.502581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.502581 (E_RNA)
where:
Base-Base interactions energy: -120.858
where: short stacking energy: -76.452
Base-Backbone interact. energy: -0.103
local terms energy: -77.541904
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -16.527
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -21.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -212.296308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.296308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.296308 (E_RNA)
where:
Base-Base interactions energy: -148.829
where: short stacking energy: -63.485
Base-Backbone interact. energy: -0.319
local terms energy: -63.147826
where:
bonds (distance) C4'-P energy: -8.423
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -3.475
tors. eta vs tors. theta energy: -22.130
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: 9
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -178.536575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.536575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.536575 (E_RNA)
where:
Base-Base interactions energy: -110.689
where: short stacking energy: -46.462
Base-Backbone interact. energy: -0.782
local terms energy: -67.064772
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -10.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -165.551979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.551979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.551979 (E_RNA)
where:
Base-Base interactions energy: -106.121
where: short stacking energy: -53.906
Base-Backbone interact. energy: 0.082
local terms energy: -59.512532
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -6.430
tors. eta vs tors. theta energy: -13.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -163.809793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.809793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.809793 (E_RNA)
where:
Base-Base interactions energy: -98.128
where: short stacking energy: -52.567
Base-Backbone interact. energy: -0.060
local terms energy: -65.622028
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -11.482
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -10.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -100.474518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.474518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.474518 (E_RNA)
where:
Base-Base interactions energy: -55.533
where: short stacking energy: -29.521
Base-Backbone interact. energy: -0.090
local terms energy: -44.851673
where:
bonds (distance) C4'-P energy: -9.011
bonds (distance) P-C4' energy: -14.487
flat angles C4'-P-C4' energy: -8.602
flat angles P-C4'-P energy: -9.245
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: 8, replica: 1
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -80.893471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.893471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.893471 (E_RNA)
where:
Base-Base interactions energy: -43.486
where: short stacking energy: -35.909
Base-Backbone interact. energy: -0.092
local terms energy: -37.316115
where:
bonds (distance) C4'-P energy: -9.787
bonds (distance) P-C4' energy: -11.621
flat angles C4'-P-C4' energy: -9.523
flat angles P-C4'-P energy: -6.112
tors. eta vs tors. theta energy: -0.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -75.599437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.599437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.599437 (E_RNA)
where:
Base-Base interactions energy: -30.072
where: short stacking energy: -23.301
Base-Backbone interact. energy: -0.406
local terms energy: -45.121145
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -11.995
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: 0.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -76.483296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.483296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.483296 (E_RNA)
where:
Base-Base interactions energy: -28.205
where: short stacking energy: -28.205
Base-Backbone interact. energy: -1.625
local terms energy: -46.653134
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -11.385
flat angles P-C4'-P energy: -4.778
tors. eta vs tors. theta energy: -5.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -228.447816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.447816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.447816 (E_RNA)
where:
Base-Base interactions energy: -146.838
where: short stacking energy: -73.120
Base-Backbone interact. energy: -2.251
local terms energy: -79.359030
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -21.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -194.925727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.925727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.925727 (E_RNA)
where:
Base-Base interactions energy: -118.224
where: short stacking energy: -72.121
Base-Backbone interact. energy: -0.090
local terms energy: -76.611465
where:
bonds (distance) C4'-P energy: -11.090
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -22.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -209.255232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.255232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.255232 (E_RNA)
where:
Base-Base interactions energy: -136.574
where: short stacking energy: -57.512
Base-Backbone interact. energy: 0.715
local terms energy: -73.396394
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -15.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -164.556280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.556280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.556280 (E_RNA)
where:
Base-Base interactions energy: -93.165
where: short stacking energy: -55.667
Base-Backbone interact. energy: -0.280
local terms energy: -71.111190
where:
bonds (distance) C4'-P energy: -14.692
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -14.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -190.419155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.419155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.419155 (E_RNA)
where:
Base-Base interactions energy: -123.052
where: short stacking energy: -54.563
Base-Backbone interact. energy: -0.352
local terms energy: -67.015179
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -11.536
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -10.017
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: 6, replica: 3
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -154.206486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.206486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.206486 (E_RNA)
where:
Base-Base interactions energy: -96.109
where: short stacking energy: -57.393
Base-Backbone interact. energy: -0.129
local terms energy: -57.968211
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -13.829
flat angles C4'-P-C4' energy: -10.605
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -15.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -93.995270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.995270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.995270 (E_RNA)
where:
Base-Base interactions energy: -45.499
where: short stacking energy: -36.990
Base-Backbone interact. energy: -0.093
local terms energy: -48.403742
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -6.790
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -5.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -94.330066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.330066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.330066 (E_RNA)
where:
Base-Base interactions energy: -47.808
where: short stacking energy: -38.070
Base-Backbone interact. energy: -0.032
local terms energy: -46.489847
where:
bonds (distance) C4'-P energy: -6.280
bonds (distance) P-C4' energy: -10.981
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -4.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -85.249481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.249481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.249481 (E_RNA)
where:
Base-Base interactions energy: -46.612
where: short stacking energy: -14.965
Base-Backbone interact. energy: 0.784
local terms energy: -39.422024
where:
bonds (distance) C4'-P energy: -10.754
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -10.029
flat angles P-C4'-P energy: -8.030
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: 4
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -74.093640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.093640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.093640 (E_RNA)
where:
Base-Base interactions energy: -22.916
where: short stacking energy: -22.916
Base-Backbone interact. energy: -0.007
local terms energy: -51.170159
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -13.724
flat angles C4'-P-C4' energy: -9.579
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -2.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -225.664374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.664374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.664374 (E_RNA)
where:
Base-Base interactions energy: -145.331
where: short stacking energy: -68.863
Base-Backbone interact. energy: -0.061
local terms energy: -80.271959
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -12.845
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: 2, replica: 2
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -223.861271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.861271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.861271 (E_RNA)
where:
Base-Base interactions energy: -142.368
where: short stacking energy: -72.404
Base-Backbone interact. energy: -0.017
local terms energy: -81.476367
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -18.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -189.841406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.841406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.841406 (E_RNA)
where:
Base-Base interactions energy: -120.582
where: short stacking energy: -65.572
Base-Backbone interact. energy: -0.006
local terms energy: -69.253545
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -8.198
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -19.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -190.800716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.800716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.800716 (E_RNA)
where:
Base-Base interactions energy: -118.721
where: short stacking energy: -66.918
Base-Backbone interact. energy: -0.004
local terms energy: -72.075652
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -18.370
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: 9
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -174.435438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.435438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.435438 (E_RNA)
where:
Base-Base interactions energy: -110.411
where: short stacking energy: -58.886
Base-Backbone interact. energy: -0.103
local terms energy: -63.921403
where:
bonds (distance) C4'-P energy: -11.003
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -6.104
tors. eta vs tors. theta energy: -17.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -153.027323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.027323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.027323 (E_RNA)
where:
Base-Base interactions energy: -88.380
where: short stacking energy: -38.308
Base-Backbone interact. energy: 0.436
local terms energy: -65.082970
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -9.671
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: 7, replica: 1
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -115.820537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.820537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.820537 (E_RNA)
where:
Base-Base interactions energy: -51.118
where: short stacking energy: -47.735
Base-Backbone interact. energy: -0.039
local terms energy: -64.663234
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -6.672
tors. eta vs tors. theta energy: -13.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -84.756146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.756146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.756146 (E_RNA)
where:
Base-Base interactions energy: -37.555
where: short stacking energy: -21.772
Base-Backbone interact. energy: -0.222
local terms energy: -46.979211
where:
bonds (distance) C4'-P energy: -10.144
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: 1.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -94.867013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.867013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.867013 (E_RNA)
where:
Base-Base interactions energy: -42.855
where: short stacking energy: -41.558
Base-Backbone interact. energy: -0.053
local terms energy: -51.959038
where:
bonds (distance) C4'-P energy: -10.182
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -7.444
flat angles P-C4'-P energy: -6.778
tors. eta vs tors. theta energy: -12.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -82.537385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.537385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.537385 (E_RNA)
where:
Base-Base interactions energy: -33.269
where: short stacking energy: -29.794
Base-Backbone interact. energy: -0.167
local terms energy: -49.101503
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -10.735
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -0.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -225.924726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.924726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.924726 (E_RNA)
where:
Base-Base interactions energy: -148.683
where: short stacking energy: -74.070
Base-Backbone interact. energy: -0.078
local terms energy: -77.163989
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -19.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -229.295655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.295655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.295655 (E_RNA)
where:
Base-Base interactions energy: -146.080
where: short stacking energy: -63.665
Base-Backbone interact. energy: -1.522
local terms energy: -81.693683
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -22.350
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: 5
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -184.262021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.262021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.262021 (E_RNA)
where:
Base-Base interactions energy: -118.278
where: short stacking energy: -53.834
Base-Backbone interact. energy: 0.100
local terms energy: -66.083900
where:
bonds (distance) C4'-P energy: -9.143
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -18.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -189.219836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.219836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.219836 (E_RNA)
where:
Base-Base interactions energy: -123.512
where: short stacking energy: -68.854
Base-Backbone interact. energy: -0.001
local terms energy: -65.706340
where:
bonds (distance) C4'-P energy: -8.870
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -21.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -168.925529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.925529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.925529 (E_RNA)
where:
Base-Base interactions energy: -96.961
where: short stacking energy: -53.625
Base-Backbone interact. energy: -1.705
local terms energy: -70.259506
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -11.901
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: 6, replica: 3
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -161.189646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.189646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.189646 (E_RNA)
where:
Base-Base interactions energy: -101.070
where: short stacking energy: -51.042
Base-Backbone interact. energy: -0.314
local terms energy: -59.805456
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -10.718
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -12.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -112.403827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.403827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.403827 (E_RNA)
where:
Base-Base interactions energy: -47.550
where: short stacking energy: -44.217
Base-Backbone interact. energy: -0.022
local terms energy: -64.831696
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -6.564
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: 8, replica: 7
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -90.805318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.805318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.805318 (E_RNA)
where:
Base-Base interactions energy: -34.828
where: short stacking energy: -32.018
Base-Backbone interact. energy: -0.122
local terms energy: -55.855467
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -6.149
tors. eta vs tors. theta energy: -4.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -90.812044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.812044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.812044 (E_RNA)
where:
Base-Base interactions energy: -40.309
where: short stacking energy: -34.267
Base-Backbone interact. energy: 0.085
local terms energy: -50.588172
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -6.342
tors. eta vs tors. theta energy: -2.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -79.679870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.679870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.679870 (E_RNA)
where:
Base-Base interactions energy: -32.579
where: short stacking energy: -31.862
Base-Backbone interact. energy: -0.211
local terms energy: -46.889582
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -10.747
flat angles P-C4'-P energy: -5.827
tors. eta vs tors. theta energy: -2.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -226.912380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.912380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.912380 (E_RNA)
where:
Base-Base interactions energy: -147.806
where: short stacking energy: -71.818
Base-Backbone interact. energy: -1.311
local terms energy: -77.795736
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -16.087
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -20.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -213.519614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.519614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.519614 (E_RNA)
where:
Base-Base interactions energy: -136.898
where: short stacking energy: -68.254
Base-Backbone interact. energy: -0.184
local terms energy: -76.437277
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -20.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -191.885817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.885817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.885817 (E_RNA)
where:
Base-Base interactions energy: -124.738
where: short stacking energy: -68.273
Base-Backbone interact. energy: -0.014
local terms energy: -67.133701
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -12.496
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -16.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -173.933729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.933729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.933729 (E_RNA)
where:
Base-Base interactions energy: -107.351
where: short stacking energy: -59.079
Base-Backbone interact. energy: -0.503
local terms energy: -66.079636
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -11.988
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: 5, replica: 9
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -163.632099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.632099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.632099 (E_RNA)
where:
Base-Base interactions energy: -92.950
where: short stacking energy: -50.622
Base-Backbone interact. energy: -0.093
local terms energy: -70.589147
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -9.210
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: 6, replica: 3
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -162.400255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.400255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.400255 (E_RNA)
where:
Base-Base interactions energy: -94.813
where: short stacking energy: -58.527
Base-Backbone interact. energy: -0.185
local terms energy: -67.402846
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -7.780
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: 7, replica: 1
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -91.527018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.527018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.527018 (E_RNA)
where:
Base-Base interactions energy: -35.735
where: short stacking energy: -35.402
Base-Backbone interact. energy: -0.159
local terms energy: -55.632722
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -13.164
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -8.221
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: 8, replica: 6
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -94.051399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.051399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.051399 (E_RNA)
where:
Base-Base interactions energy: -37.380
where: short stacking energy: -24.609
Base-Backbone interact. energy: -0.596
local terms energy: -56.075514
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -2.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -75.182098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.182098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.182098 (E_RNA)
where:
Base-Base interactions energy: -34.180
where: short stacking energy: -26.664
Base-Backbone interact. energy: 1.784
local terms energy: -42.786205
where:
bonds (distance) C4'-P energy: -6.204
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -3.225
tors. eta vs tors. theta energy: -5.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -79.221430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.221430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.221430 (E_RNA)
where:
Base-Base interactions energy: -28.427
where: short stacking energy: -26.686
Base-Backbone interact. energy: 0.456
local terms energy: -51.250270
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -5.150
tors. eta vs tors. theta energy: -1.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -225.506044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.506044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.506044 (E_RNA)
where:
Base-Base interactions energy: -146.857
where: short stacking energy: -66.657
Base-Backbone interact. energy: -1.365
local terms energy: -77.284654
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -18.796
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -19.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -220.684918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.684918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.684918 (E_RNA)
where:
Base-Base interactions energy: -155.152
where: short stacking energy: -55.440
Base-Backbone interact. energy: -0.515
local terms energy: -65.018463
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -11.048
flat angles P-C4'-P energy: -5.009
tors. eta vs tors. theta energy: -16.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -192.283115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.283115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.283115 (E_RNA)
where:
Base-Base interactions energy: -116.977
where: short stacking energy: -60.126
Base-Backbone interact. energy: -0.614
local terms energy: -74.691916
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -18.397
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: 10
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -191.916552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.916552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.916552 (E_RNA)
where:
Base-Base interactions energy: -117.200
where: short stacking energy: -58.992
Base-Backbone interact. energy: -0.102
local terms energy: -74.614506
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -14.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -186.230897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.230897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.230897 (E_RNA)
where:
Base-Base interactions energy: -112.572
where: short stacking energy: -64.609
Base-Backbone interact. energy: 0.513
local terms energy: -74.172278
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -20.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -154.208850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.208850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.208850 (E_RNA)
where:
Base-Base interactions energy: -97.764
where: short stacking energy: -49.297
Base-Backbone interact. energy: -0.683
local terms energy: -55.762295
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -6.097
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: 7, replica: 6
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -89.977974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.977974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.977974 (E_RNA)
where:
Base-Base interactions energy: -47.571
where: short stacking energy: -37.706
Base-Backbone interact. energy: 0.564
local terms energy: -42.970769
where:
bonds (distance) C4'-P energy: -8.364
bonds (distance) P-C4' energy: -12.075
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: 0.330
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: 1
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -83.022830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.022830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.022830 (E_RNA)
where:
Base-Base interactions energy: -31.077
where: short stacking energy: -21.050
Base-Backbone interact. energy: -0.322
local terms energy: -51.623397
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -7.329
tors. eta vs tors. theta energy: 0.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -78.131514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.131514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.131514 (E_RNA)
where:
Base-Base interactions energy: -24.988
where: short stacking energy: -23.820
Base-Backbone interact. energy: -0.742
local terms energy: -52.401559
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -6.097
tors. eta vs tors. theta energy: -6.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -96.685029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.685029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.685029 (E_RNA)
where:
Base-Base interactions energy: -44.544
where: short stacking energy: -44.544
Base-Backbone interact. energy: -0.004
local terms energy: -52.137081
where:
bonds (distance) C4'-P energy: -8.572
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: -9.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -229.819239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.819239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.819239 (E_RNA)
where:
Base-Base interactions energy: -147.852
where: short stacking energy: -71.826
Base-Backbone interact. energy: -1.306
local terms energy: -80.660522
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -19.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -223.887081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.887081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.887081 (E_RNA)
where:
Base-Base interactions energy: -146.506
where: short stacking energy: -57.732
Base-Backbone interact. energy: -1.261
local terms energy: -76.119936
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -16.331
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -12.294
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: 5
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -189.260773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.260773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.260773 (E_RNA)
where:
Base-Base interactions energy: -119.159
where: short stacking energy: -54.505
Base-Backbone interact. energy: -0.803
local terms energy: -69.298466
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -9.414
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: 4, replica: 9
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -170.527343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.527343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.527343 (E_RNA)
where:
Base-Base interactions energy: -102.043
where: short stacking energy: -51.609
Base-Backbone interact. energy: -0.091
local terms energy: -68.393186
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -15.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -178.910743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.910743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.910743 (E_RNA)
where:
Base-Base interactions energy: -108.782
where: short stacking energy: -52.210
Base-Backbone interact. energy: 1.307
local terms energy: -71.435702
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -12.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -166.043732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.043732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.043732 (E_RNA)
where:
Base-Base interactions energy: -98.280
where: short stacking energy: -57.019
Base-Backbone interact. energy: -0.054
local terms energy: -67.710037
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -13.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -100.576805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.576805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.576805 (E_RNA)
where:
Base-Base interactions energy: -43.381
where: short stacking energy: -42.693
Base-Backbone interact. energy: 2.358
local terms energy: -59.553566
where:
bonds (distance) C4'-P energy: -14.655
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -7.303
tors. eta vs tors. theta energy: -9.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -77.344156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.344156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.344156 (E_RNA)
where:
Base-Base interactions energy: -25.134
where: short stacking energy: -23.790
Base-Backbone interact. energy: -0.226
local terms energy: -51.984451
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -5.675
tors. eta vs tors. theta energy: -3.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -90.126951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.126951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.126951 (E_RNA)
where:
Base-Base interactions energy: -33.683
where: short stacking energy: -29.107
Base-Backbone interact. energy: -0.046
local terms energy: -56.397584
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -9.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -83.688203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.688203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.688203 (E_RNA)
where:
Base-Base interactions energy: -39.753
where: short stacking energy: -16.699
Base-Backbone interact. energy: 0.659
local terms energy: -44.594043
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: 5.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -219.376305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.376305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.376305 (E_RNA)
where:
Base-Base interactions energy: -144.523
where: short stacking energy: -70.772
Base-Backbone interact. energy: -0.004
local terms energy: -74.848670
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -18.108
flat angles P-C4'-P energy: -7.651
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: 8
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -217.130518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.130518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.130518 (E_RNA)
where:
Base-Base interactions energy: -154.445
where: short stacking energy: -53.156
Base-Backbone interact. energy: -0.784
local terms energy: -61.901709
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -9.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -181.493400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.493400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.493400 (E_RNA)
where:
Base-Base interactions energy: -115.644
where: short stacking energy: -55.056
Base-Backbone interact. energy: -0.003
local terms energy: -65.845885
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -10.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -169.085268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.085268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.085268 (E_RNA)
where:
Base-Base interactions energy: -102.569
where: short stacking energy: -54.603
Base-Backbone interact. energy: -0.375
local terms energy: -66.140675
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -9.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -172.332330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.332330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.332330 (E_RNA)
where:
Base-Base interactions energy: -105.235
where: short stacking energy: -58.956
Base-Backbone interact. energy: 0.118
local terms energy: -67.215545
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -16.252
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: 6, replica: 10
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -162.890181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.890181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.890181 (E_RNA)
where:
Base-Base interactions energy: -103.027
where: short stacking energy: -53.179
Base-Backbone interact. energy: -0.558
local terms energy: -59.305122
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -11.224
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: -12.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -89.371675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.371675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.371675 (E_RNA)
where:
Base-Base interactions energy: -37.031
where: short stacking energy: -30.739
Base-Backbone interact. energy: -0.168
local terms energy: -52.172699
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -10.441
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -1.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -90.766772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.766772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.766772 (E_RNA)
where:
Base-Base interactions energy: -42.766
where: short stacking energy: -32.721
Base-Backbone interact. energy: -0.389
local terms energy: -47.612139
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -12.509
flat angles C4'-P-C4' energy: -10.243
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -1.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -87.060117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.060117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.060117 (E_RNA)
where:
Base-Base interactions energy: -35.375
where: short stacking energy: -29.649
Base-Backbone interact. energy: -0.271
local terms energy: -51.414272
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -8.703
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -3.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -74.205504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.205504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.205504 (E_RNA)
where:
Base-Base interactions energy: -28.978
where: short stacking energy: -28.246
Base-Backbone interact. energy: 1.531
local terms energy: -46.757726
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -11.716
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -1.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -227.221055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.221055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.221055 (E_RNA)
where:
Base-Base interactions energy: -148.109
where: short stacking energy: -70.266
Base-Backbone interact. energy: -1.678
local terms energy: -77.433799
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -22.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -189.706308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.706308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.706308 (E_RNA)
where:
Base-Base interactions energy: -118.851
where: short stacking energy: -56.930
Base-Backbone interact. energy: 0.612
local terms energy: -71.467386
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -13.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -214.508754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.508754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.508754 (E_RNA)
where:
Base-Base interactions energy: -146.582
where: short stacking energy: -51.890
Base-Backbone interact. energy: -0.035
local terms energy: -67.892208
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -13.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -168.071233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.071233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.071233 (E_RNA)
where:
Base-Base interactions energy: -102.655
where: short stacking energy: -64.386
Base-Backbone interact. energy: -0.008
local terms energy: -65.408194
where:
bonds (distance) C4'-P energy: -8.998
bonds (distance) P-C4' energy: -12.956
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -10.135
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: 5, replica: 5
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -164.111958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.111958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.111958 (E_RNA)
where:
Base-Base interactions energy: -88.518
where: short stacking energy: -45.162
Base-Backbone interact. energy: -0.109
local terms energy: -75.485843
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -13.369
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: 6, replica: 1
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -96.366915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.366915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.366915 (E_RNA)
where:
Base-Base interactions energy: -40.480
where: short stacking energy: -40.480
Base-Backbone interact. energy: 0.064
local terms energy: -55.950555
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -9.793
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -7.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -157.977066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.977066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.977066 (E_RNA)
where:
Base-Base interactions energy: -103.083
where: short stacking energy: -39.164
Base-Backbone interact. energy: -0.354
local terms energy: -54.540458
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -4.491
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: 7
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -80.047526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.047526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.047526 (E_RNA)
where:
Base-Base interactions energy: -37.655
where: short stacking energy: -30.937
Base-Backbone interact. energy: -0.832
local terms energy: -41.560839
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -10.645
flat angles C4'-P-C4' energy: -7.137
flat angles P-C4'-P energy: -5.399
tors. eta vs tors. theta energy: -1.230
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: 6
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -94.558038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.558038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.558038 (E_RNA)
where:
Base-Base interactions energy: -52.673
where: short stacking energy: -36.439
Base-Backbone interact. energy: -0.264
local terms energy: -41.620557
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -9.923
flat angles C4'-P-C4' energy: -10.897
flat angles P-C4'-P energy: -3.384
tors. eta vs tors. theta energy: -5.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -83.797552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.797552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.797552 (E_RNA)
where:
Base-Base interactions energy: -38.252
where: short stacking energy: -27.125
Base-Backbone interact. energy: -0.480
local terms energy: -45.066277
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -4.883
tors. eta vs tors. theta energy: -0.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -206.358072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.358072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.358072 (E_RNA)
where:
Base-Base interactions energy: -129.117
where: short stacking energy: -62.823
Base-Backbone interact. energy: -0.000
local terms energy: -77.240252
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -19.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -224.078172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.078172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.078172 (E_RNA)
where:
Base-Base interactions energy: -148.996
where: short stacking energy: -64.108
Base-Backbone interact. energy: -1.652
local terms energy: -73.430642
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -15.781
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -18.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -202.958357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.958357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.958357 (E_RNA)
where:
Base-Base interactions energy: -138.669
where: short stacking energy: -46.296
Base-Backbone interact. energy: -0.269
local terms energy: -64.020148
where:
bonds (distance) C4'-P energy: -10.519
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -14.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -171.026873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.026873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.026873 (E_RNA)
where:
Base-Base interactions energy: -110.912
where: short stacking energy: -53.450
Base-Backbone interact. energy: 0.140
local terms energy: -60.254981
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -10.752
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -5.335
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: 5, replica: 5
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -164.634053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.634053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.634053 (E_RNA)
where:
Base-Base interactions energy: -112.033
where: short stacking energy: -42.991
Base-Backbone interact. energy: 0.019
local terms energy: -52.619797
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -7.025
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -5.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -94.835931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.835931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.835931 (E_RNA)
where:
Base-Base interactions energy: -36.956
where: short stacking energy: -29.270
Base-Backbone interact. energy: 1.196
local terms energy: -59.075329
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -5.675
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: 10
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -162.170437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.170437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.170437 (E_RNA)
where:
Base-Base interactions energy: -102.381
where: short stacking energy: -55.351
Base-Backbone interact. energy: 0.016
local terms energy: -59.804706
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -14.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -111.590570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.590570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.590570 (E_RNA)
where:
Base-Base interactions energy: -58.605
where: short stacking energy: -30.796
Base-Backbone interact. energy: -0.941
local terms energy: -52.045052
where:
bonds (distance) C4'-P energy: -9.400
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -8.741
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: 4
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -81.038317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.038317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.038317 (E_RNA)
where:
Base-Base interactions energy: -30.750
where: short stacking energy: -29.514
Base-Backbone interact. energy: -0.140
local terms energy: -50.148433
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -12.269
flat angles P-C4'-P energy: -6.913
tors. eta vs tors. theta energy: -3.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -70.776667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.776667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.776667 (E_RNA)
where:
Base-Base interactions energy: -12.272
where: short stacking energy: -11.782
Base-Backbone interact. energy: -0.235
local terms energy: -58.269909
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -1.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -211.967561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.967561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.967561 (E_RNA)
where:
Base-Base interactions energy: -138.834
where: short stacking energy: -65.411
Base-Backbone interact. energy: -0.033
local terms energy: -73.101033
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -15.319
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -10.818
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: 8
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -223.980276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.980276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.980276 (E_RNA)
where:
Base-Base interactions energy: -146.440
where: short stacking energy: -77.392
Base-Backbone interact. energy: -0.013
local terms energy: -77.527883
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -12.884
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: 2
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -218.339363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.339363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.339363 (E_RNA)
where:
Base-Base interactions energy: -143.195
where: short stacking energy: -72.382
Base-Backbone interact. energy: -0.156
local terms energy: -74.988651
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -22.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -185.406798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.406798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.406798 (E_RNA)
where:
Base-Base interactions energy: -119.727
where: short stacking energy: -44.945
Base-Backbone interact. energy: -0.925
local terms energy: -64.754444
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -10.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -177.125396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.125396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.125396 (E_RNA)
where:
Base-Base interactions energy: -104.310
where: short stacking energy: -54.298
Base-Backbone interact. energy: -0.608
local terms energy: -72.207693
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -18.342
flat angles P-C4'-P energy: -8.047
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: 6, replica: 10
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -185.508715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.508715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.508715 (E_RNA)
where:
Base-Base interactions energy: -111.480
where: short stacking energy: -58.713
Base-Backbone interact. energy: 0.251
local terms energy: -74.279466
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -11.140
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: 7, replica: 1
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -118.895454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.895454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.895454 (E_RNA)
where:
Base-Base interactions energy: -51.672
where: short stacking energy: -51.672
Base-Backbone interact. energy: 0.168
local terms energy: -67.391241
where:
bonds (distance) C4'-P energy: -9.657
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -11.512
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: 8, replica: 7
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -100.279217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.279217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.279217 (E_RNA)
where:
Base-Base interactions energy: -50.992
where: short stacking energy: -36.052
Base-Backbone interact. energy: -0.941
local terms energy: -48.346070
where:
bonds (distance) C4'-P energy: -9.614
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -11.311
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -3.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -75.272224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.272224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.272224 (E_RNA)
where:
Base-Base interactions energy: -30.160
where: short stacking energy: -29.230
Base-Backbone interact. energy: -0.206
local terms energy: -44.905752
where:
bonds (distance) C4'-P energy: -9.822
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -9.588
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -1.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -71.567897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.567897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.567897 (E_RNA)
where:
Base-Base interactions energy: -29.058
where: short stacking energy: -23.000
Base-Backbone interact. energy: -1.696
local terms energy: -40.814504
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -10.020
flat angles C4'-P-C4' energy: -9.373
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: 5.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -223.874493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.874493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.874493 (E_RNA)
where:
Base-Base interactions energy: -148.603
where: short stacking energy: -71.007
Base-Backbone interact. energy: -0.577
local terms energy: -74.694826
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -18.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -210.628280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.628280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.628280 (E_RNA)
where:
Base-Base interactions energy: -135.053
where: short stacking energy: -68.599
Base-Backbone interact. energy: -0.557
local terms energy: -75.018185
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -17.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -215.686964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.686964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.686964 (E_RNA)
where:
Base-Base interactions energy: -141.150
where: short stacking energy: -75.522
Base-Backbone interact. energy: -0.016
local terms energy: -74.520854
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -20.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -171.813653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.813653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.813653 (E_RNA)
where:
Base-Base interactions energy: -112.725
where: short stacking energy: -37.392
Base-Backbone interact. energy: 0.488
local terms energy: -59.576395
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -9.899
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: 5, replica: 10
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -176.660004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.660004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.660004 (E_RNA)
where:
Base-Base interactions energy: -108.913
where: short stacking energy: -59.276
Base-Backbone interact. energy: -0.213
local terms energy: -67.534252
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -15.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -154.570720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.570720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.570720 (E_RNA)
where:
Base-Base interactions energy: -91.331
where: short stacking energy: -45.992
Base-Backbone interact. energy: -0.113
local terms energy: -63.127369
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -9.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -104.274567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.274567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.274567 (E_RNA)
where:
Base-Base interactions energy: -52.892
where: short stacking energy: -39.383
Base-Backbone interact. energy: -0.110
local terms energy: -51.272438
where:
bonds (distance) C4'-P energy: -8.545
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -9.093
flat angles P-C4'-P energy: -8.974
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: 8, replica: 1
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -86.264095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.264095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.264095 (E_RNA)
where:
Base-Base interactions energy: -37.497
where: short stacking energy: -34.265
Base-Backbone interact. energy: 1.078
local terms energy: -49.845272
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -0.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -76.957249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.957249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.957249 (E_RNA)
where:
Base-Base interactions energy: -27.852
where: short stacking energy: -23.096
Base-Backbone interact. energy: 0.808
local terms energy: -49.912952
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -8.638
flat angles P-C4'-P energy: -4.495
tors. eta vs tors. theta energy: -2.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -77.761915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.761915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.761915 (E_RNA)
where:
Base-Base interactions energy: -34.365
where: short stacking energy: -11.496
Base-Backbone interact. energy: 0.815
local terms energy: -44.211835
where:
bonds (distance) C4'-P energy: -11.936
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: 2.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -228.825651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.825651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.825651 (E_RNA)
where:
Base-Base interactions energy: -148.278
where: short stacking energy: -70.360
Base-Backbone interact. energy: -0.521
local terms energy: -80.026441
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -21.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -220.778096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.778096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.778096 (E_RNA)
where:
Base-Base interactions energy: -139.041
where: short stacking energy: -64.330
Base-Backbone interact. energy: -0.524
local terms energy: -81.213120
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -19.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -200.366238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.366238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.366238 (E_RNA)
where:
Base-Base interactions energy: -136.982
where: short stacking energy: -53.426
Base-Backbone interact. energy: -0.123
local terms energy: -63.261056
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -3.894
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: 4, replica: 10
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -169.479583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.479583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.479583 (E_RNA)
where:
Base-Base interactions energy: -106.566
where: short stacking energy: -55.405
Base-Backbone interact. energy: -0.095
local terms energy: -62.819220
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -6.471
tors. eta vs tors. theta energy: -12.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -144.512588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.512588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.512588 (E_RNA)
where:
Base-Base interactions energy: -93.625
where: short stacking energy: -38.863
Base-Backbone interact. energy: -0.187
local terms energy: -50.701106
where:
bonds (distance) C4'-P energy: -4.343
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -11.642
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -7.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -113.235732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.235732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.235732 (E_RNA)
where:
Base-Base interactions energy: -54.676
where: short stacking energy: -45.435
Base-Backbone interact. energy: -0.506
local terms energy: -58.054188
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -5.441
tors. eta vs tors. theta energy: -9.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -154.463189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.463189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.463189 (E_RNA)
where:
Base-Base interactions energy: -88.028
where: short stacking energy: -52.147
Base-Backbone interact. energy: 0.234
local terms energy: -66.668939
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -15.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -93.155771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.155771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.155771 (E_RNA)
where:
Base-Base interactions energy: -37.109
where: short stacking energy: -25.502
Base-Backbone interact. energy: -0.162
local terms energy: -55.883893
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -16.280
flat angles P-C4'-P energy: -7.093
tors. eta vs tors. theta energy: -6.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -89.467121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.467121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.467121 (E_RNA)
where:
Base-Base interactions energy: -38.085
where: short stacking energy: -32.539
Base-Backbone interact. energy: -0.180
local terms energy: -51.202091
where:
bonds (distance) C4'-P energy: -8.766
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -5.366
tors. eta vs tors. theta energy: -4.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -78.476125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.476125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.476125 (E_RNA)
where:
Base-Base interactions energy: -26.427
where: short stacking energy: -20.907
Base-Backbone interact. energy: -0.401
local terms energy: -51.648667
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -11.077
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -2.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -222.864545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.864545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.864545 (E_RNA)
where:
Base-Base interactions energy: -145.314
where: short stacking energy: -68.736
Base-Backbone interact. energy: -0.563
local terms energy: -76.988427
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -19.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -221.360486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.360486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.360486 (E_RNA)
where:
Base-Base interactions energy: -143.175
where: short stacking energy: -66.705
Base-Backbone interact. energy: -0.001
local terms energy: -78.184393
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -20.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -174.184286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.184286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.184286 (E_RNA)
where:
Base-Base interactions energy: -108.499
where: short stacking energy: -54.132
Base-Backbone interact. energy: -0.134
local terms energy: -65.550957
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -14.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -162.655830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.655830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.655830 (E_RNA)
where:
Base-Base interactions energy: -96.896
where: short stacking energy: -48.453
Base-Backbone interact. energy: -0.230
local terms energy: -65.530219
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -8.303
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: 5
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -151.787056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.787056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.787056 (E_RNA)
where:
Base-Base interactions energy: -87.415
where: short stacking energy: -39.911
Base-Backbone interact. energy: -0.478
local terms energy: -63.894104
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -11.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -96.096920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.096920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.096920 (E_RNA)
where:
Base-Base interactions energy: -39.009
where: short stacking energy: -33.196
Base-Backbone interact. energy: -0.023
local terms energy: -57.065174
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -4.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -153.118053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.118053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.118053 (E_RNA)
where:
Base-Base interactions energy: -99.409
where: short stacking energy: -50.145
Base-Backbone interact. energy: -0.068
local terms energy: -53.641335
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -8.466
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -10.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -98.821278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.821278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.821278 (E_RNA)
where:
Base-Base interactions energy: -52.705
where: short stacking energy: -48.255
Base-Backbone interact. energy: -0.041
local terms energy: -46.074552
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -10.760
flat angles C4'-P-C4' energy: -10.660
flat angles P-C4'-P energy: -5.271
tors. eta vs tors. theta energy: -8.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -102.964747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.964747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.964747 (E_RNA)
where:
Base-Base interactions energy: -58.013
where: short stacking energy: -32.948
Base-Backbone interact. energy: 2.246
local terms energy: -47.197511
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -10.402
flat angles P-C4'-P energy: -3.310
tors. eta vs tors. theta energy: -2.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -75.855935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.855935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.855935 (E_RNA)
where:
Base-Base interactions energy: -31.898
where: short stacking energy: -23.100
Base-Backbone interact. energy: -0.812
local terms energy: -43.145871
where:
bonds (distance) C4'-P energy: -8.968
bonds (distance) P-C4' energy: -11.579
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -6.733
tors. eta vs tors. theta energy: -1.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -223.129707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.129707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.129707 (E_RNA)
where:
Base-Base interactions energy: -148.766
where: short stacking energy: -67.049
Base-Backbone interact. energy: -0.353
local terms energy: -74.010581
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -10.838
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -22.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -220.539284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.539284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.539284 (E_RNA)
where:
Base-Base interactions energy: -144.934
where: short stacking energy: -67.889
Base-Backbone interact. energy: -0.073
local terms energy: -75.532264
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -18.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -166.537029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.537029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.537029 (E_RNA)
where:
Base-Base interactions energy: -95.191
where: short stacking energy: -54.245
Base-Backbone interact. energy: -0.015
local terms energy: -71.330417
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -9.466
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: 4, replica: 5
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -169.875648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.875648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.875648 (E_RNA)
where:
Base-Base interactions energy: -106.736
where: short stacking energy: -57.087
Base-Backbone interact. energy: 0.308
local terms energy: -63.446798
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -10.307
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -11.287
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: 5, replica: 10
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -170.827775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.827775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.827775 (E_RNA)
where:
Base-Base interactions energy: -107.086
where: short stacking energy: -56.776
Base-Backbone interact. energy: -0.147
local terms energy: -63.594565
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -8.397
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -12.322
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: 6, replica: 3
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -158.299534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.299534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.299534 (E_RNA)
where:
Base-Base interactions energy: -84.949
where: short stacking energy: -44.156
Base-Backbone interact. energy: -0.333
local terms energy: -73.017738
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -12.951
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: 7, replica: 7
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -102.418081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.418081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.418081 (E_RNA)
where:
Base-Base interactions energy: -41.432
where: short stacking energy: -40.041
Base-Backbone interact. energy: -0.089
local terms energy: -60.897525
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -9.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -85.428132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.428132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.428132 (E_RNA)
where:
Base-Base interactions energy: -30.056
where: short stacking energy: -26.254
Base-Backbone interact. energy: -0.828
local terms energy: -54.543892
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -1.811
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: 9, replica: 1
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -76.666723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.666723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.666723 (E_RNA)
where:
Base-Base interactions energy: -25.459
where: short stacking energy: -25.459
Base-Backbone interact. energy: -1.394
local terms energy: -49.813232
where:
bonds (distance) C4'-P energy: -7.533
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -0.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -72.468692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.468692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.468692 (E_RNA)
where:
Base-Base interactions energy: -26.344
where: short stacking energy: -23.575
Base-Backbone interact. energy: -0.382
local terms energy: -45.742714
where:
bonds (distance) C4'-P energy: -10.182
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -4.291
tors. eta vs tors. theta energy: -1.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -227.388525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.388525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.388525 (E_RNA)
where:
Base-Base interactions energy: -154.999
where: short stacking energy: -72.237
Base-Backbone interact. energy: -0.028
local terms energy: -72.361479
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -13.605
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -21.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -217.040040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.040040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.040040 (E_RNA)
where:
Base-Base interactions energy: -151.180
where: short stacking energy: -63.135
Base-Backbone interact. energy: -0.025
local terms energy: -65.834529
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -10.767
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -17.275
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: 9
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -180.119142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.119142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.119142 (E_RNA)
where:
Base-Base interactions energy: -119.557
where: short stacking energy: -62.318
Base-Backbone interact. energy: -0.367
local terms energy: -60.195611
where:
bonds (distance) C4'-P energy: -7.234
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -17.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -179.404546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.404546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.404546 (E_RNA)
where:
Base-Base interactions energy: -122.663
where: short stacking energy: -52.578
Base-Backbone interact. energy: -0.343
local terms energy: -56.398305
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -3.544
tors. eta vs tors. theta energy: -12.187
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: 5, replica: 10
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -160.432842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.432842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.432842 (E_RNA)
where:
Base-Base interactions energy: -98.121
where: short stacking energy: -52.245
Base-Backbone interact. energy: -0.132
local terms energy: -62.179826
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -11.717
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -12.023
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: 6, replica: 3
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -142.132191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.132191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.132191 (E_RNA)
where:
Base-Base interactions energy: -79.333
where: short stacking energy: -23.336
Base-Backbone interact. energy: -0.310
local terms energy: -62.489187
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -6.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -89.916174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.916174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.916174 (E_RNA)
where:
Base-Base interactions energy: -31.392
where: short stacking energy: -31.392
Base-Backbone interact. energy: -0.006
local terms energy: -58.518150
where:
bonds (distance) C4'-P energy: -9.460
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -8.441
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: 8, replica: 4
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -86.249285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.249285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.249285 (E_RNA)
where:
Base-Base interactions energy: -26.078
where: short stacking energy: -21.477
Base-Backbone interact. energy: -0.421
local terms energy: -59.750237
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -10.347
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: 9, replica: 6
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -83.588981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.588981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.588981 (E_RNA)
where:
Base-Base interactions energy: -27.539
where: short stacking energy: -27.539
Base-Backbone interact. energy: -0.471
local terms energy: -55.579310
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: -3.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -94.911233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.911233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.911233 (E_RNA)
where:
Base-Base interactions energy: -38.817
where: short stacking energy: -27.960
Base-Backbone interact. energy: -0.282
local terms energy: -55.812125
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -4.980
tors. eta vs tors. theta energy: -6.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -228.545674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.545674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.545674 (E_RNA)
where:
Base-Base interactions energy: -148.166
where: short stacking energy: -77.208
Base-Backbone interact. energy: -0.098
local terms energy: -80.281508
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -19.032
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -20.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -214.327690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.327690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.327690 (E_RNA)
where:
Base-Base interactions energy: -137.179
where: short stacking energy: -55.811
Base-Backbone interact. energy: -0.490
local terms energy: -76.658840
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -19.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -183.949625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.949625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.949625 (E_RNA)
where:
Base-Base interactions energy: -105.037
where: short stacking energy: -54.433
Base-Backbone interact. energy: -0.101
local terms energy: -78.811494
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -15.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -173.038745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.038745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.038745 (E_RNA)
where:
Base-Base interactions energy: -105.408
where: short stacking energy: -48.939
Base-Backbone interact. energy: -0.132
local terms energy: -67.499300
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: -8.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -158.791010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.791010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.791010 (E_RNA)
where:
Base-Base interactions energy: -97.582
where: short stacking energy: -42.929
Base-Backbone interact. energy: -0.325
local terms energy: -60.883523
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -10.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -146.422098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.422098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.422098 (E_RNA)
where:
Base-Base interactions energy: -86.028
where: short stacking energy: -47.362
Base-Backbone interact. energy: -0.531
local terms energy: -59.862402
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -8.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -109.040379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.040379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.040379 (E_RNA)
where:
Base-Base interactions energy: -45.663
where: short stacking energy: -45.663
Base-Backbone interact. energy: -0.069
local terms energy: -63.308582
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -7.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -89.517919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.517919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.517919 (E_RNA)
where:
Base-Base interactions energy: -24.406
where: short stacking energy: -24.406
Base-Backbone interact. energy: -0.067
local terms energy: -65.044769
where:
bonds (distance) C4'-P energy: -16.964
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -8.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -79.139002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.139002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.139002 (E_RNA)
where:
Base-Base interactions energy: -28.001
where: short stacking energy: -17.180
Base-Backbone interact. energy: -0.624
local terms energy: -50.513929
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -13.355
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -0.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -83.978456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.978456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.978456 (E_RNA)
where:
Base-Base interactions energy: -33.506
where: short stacking energy: -33.506
Base-Backbone interact. energy: -0.126
local terms energy: -50.346503
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -0.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -228.460644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.460644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.460644 (E_RNA)
where:
Base-Base interactions energy: -154.965
where: short stacking energy: -72.696
Base-Backbone interact. energy: -0.022
local terms energy: -73.473231
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -7.189
tors. eta vs tors. theta energy: -19.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -220.583749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.583749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.583749 (E_RNA)
where:
Base-Base interactions energy: -140.940
where: short stacking energy: -67.044
Base-Backbone interact. energy: -0.000
local terms energy: -79.643785
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -22.631
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: 3, replica: 10
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -183.550125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.550125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.550125 (E_RNA)
where:
Base-Base interactions energy: -118.189
where: short stacking energy: -60.955
Base-Backbone interact. energy: -0.026
local terms energy: -65.335592
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -10.626
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -15.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -177.026587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.026587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.026587 (E_RNA)
where:
Base-Base interactions energy: -109.592
where: short stacking energy: -58.999
Base-Backbone interact. energy: -0.092
local terms energy: -67.342921
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -14.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -162.122020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.122020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.122020 (E_RNA)
where:
Base-Base interactions energy: -109.494
where: short stacking energy: -51.425
Base-Backbone interact. energy: -0.299
local terms energy: -52.328881
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -6.848
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -7.755
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: 6, replica: 5
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -140.328554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.328554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.328554 (E_RNA)
where:
Base-Base interactions energy: -91.520
where: short stacking energy: -37.664
Base-Backbone interact. energy: -0.161
local terms energy: -48.647363
where:
bonds (distance) C4'-P energy: -9.446
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -5.574
tors. eta vs tors. theta energy: -7.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -93.562886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.562886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.562886 (E_RNA)
where:
Base-Base interactions energy: -39.956
where: short stacking energy: -39.956
Base-Backbone interact. energy: -0.036
local terms energy: -53.570999
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -7.369
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -9.949
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: 8, replica: 7
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -109.545746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.545746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.545746 (E_RNA)
where:
Base-Base interactions energy: -59.312
where: short stacking energy: -27.386
Base-Backbone interact. energy: -0.682
local terms energy: -49.551584
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -18.585
flat angles C4'-P-C4' energy: -11.028
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -0.356
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: 1
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -72.348259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.348259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.348259 (E_RNA)
where:
Base-Base interactions energy: -26.012
where: short stacking energy: -16.186
Base-Backbone interact. energy: 0.582
local terms energy: -46.918488
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -6.229
tors. eta vs tors. theta energy: -1.561
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: 10, replica: 4
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -77.775443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.775443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.775443 (E_RNA)
where:
Base-Base interactions energy: -25.332
where: short stacking energy: -25.732
Base-Backbone interact. energy: -0.199
local terms energy: -52.243581
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -16.534
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -0.789
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: 8
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -222.409025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.409025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.409025 (E_RNA)
where:
Base-Base interactions energy: -142.835
where: short stacking energy: -72.969
Base-Backbone interact. energy: -0.014
local terms energy: -79.559198
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -21.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -222.392654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.392654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.392654 (E_RNA)
where:
Base-Base interactions energy: -143.656
where: short stacking energy: -74.637
Base-Backbone interact. energy: -0.100
local terms energy: -78.637055
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -19.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -188.313605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.313605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.313605 (E_RNA)
where:
Base-Base interactions energy: -118.156
where: short stacking energy: -58.834
Base-Backbone interact. energy: -1.309
local terms energy: -68.847919
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: -14.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -195.020618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.020618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.020618 (E_RNA)
where:
Base-Base interactions energy: -119.677
where: short stacking energy: -62.073
Base-Backbone interact. energy: -1.400
local terms energy: -73.943417
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -12.166
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: 5, replica: 3
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -157.118514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.118514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.118514 (E_RNA)
where:
Base-Base interactions energy: -104.411
where: short stacking energy: -42.512
Base-Backbone interact. energy: -1.832
local terms energy: -50.875005
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -10.446
flat angles P-C4'-P energy: -2.655
tors. eta vs tors. theta energy: -9.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -90.232931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.232931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.232931 (E_RNA)
where:
Base-Base interactions energy: -36.023
where: short stacking energy: -35.120
Base-Backbone interact. energy: -0.059
local terms energy: -54.150499
where:
bonds (distance) C4'-P energy: -10.616
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -0.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -136.262127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.262127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.262127 (E_RNA)
where:
Base-Base interactions energy: -82.716
where: short stacking energy: -43.515
Base-Backbone interact. energy: 0.686
local terms energy: -54.232670
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -5.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -128.858769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.858769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.858769 (E_RNA)
where:
Base-Base interactions energy: -78.471
where: short stacking energy: -29.087
Base-Backbone interact. energy: -0.474
local terms energy: -49.913107
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -10.760
flat angles P-C4'-P energy: -6.359
tors. eta vs tors. theta energy: -6.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -75.299472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.299472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.299472 (E_RNA)
where:
Base-Base interactions energy: -33.623
where: short stacking energy: -23.054
Base-Backbone interact. energy: -0.374
local terms energy: -41.302930
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -3.749
tors. eta vs tors. theta energy: 2.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -88.623002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.623002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.623002 (E_RNA)
where:
Base-Base interactions energy: -43.387
where: short stacking energy: -31.707
Base-Backbone interact. energy: -0.581
local terms energy: -44.655235
where:
bonds (distance) C4'-P energy: -9.142
bonds (distance) P-C4' energy: -16.877
flat angles C4'-P-C4' energy: -4.211
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -5.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -230.909041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.909041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.909041 (E_RNA)
where:
Base-Base interactions energy: -147.102
where: short stacking energy: -69.367
Base-Backbone interact. energy: -1.155
local terms energy: -82.652969
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -14.483
tors. eta vs tors. theta energy: -23.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -221.472116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.472116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.472116 (E_RNA)
where:
Base-Base interactions energy: -148.000
where: short stacking energy: -62.645
Base-Backbone interact. energy: -0.585
local terms energy: -72.887155
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -21.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -196.438324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.438324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.438324 (E_RNA)
where:
Base-Base interactions energy: -119.414
where: short stacking energy: -65.163
Base-Backbone interact. energy: -0.145
local terms energy: -76.879997
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -18.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -192.149947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.149947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.149947 (E_RNA)
where:
Base-Base interactions energy: -118.367
where: short stacking energy: -62.278
Base-Backbone interact. energy: -0.864
local terms energy: -72.918505
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -13.175
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: -16.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -158.239938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.239938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.239938 (E_RNA)
where:
Base-Base interactions energy: -92.245
where: short stacking energy: -49.557
Base-Backbone interact. energy: 2.160
local terms energy: -68.154654
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -11.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -94.751486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.751486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.751486 (E_RNA)
where:
Base-Base interactions energy: -36.339
where: short stacking energy: -38.357
Base-Backbone interact. energy: -0.195
local terms energy: -58.217375
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -3.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -151.934750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.934750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.934750 (E_RNA)
where:
Base-Base interactions energy: -92.929
where: short stacking energy: -46.253
Base-Backbone interact. energy: -0.355
local terms energy: -58.650404
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -6.807
tors. eta vs tors. theta energy: -11.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -86.858919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.858919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.858919 (E_RNA)
where:
Base-Base interactions energy: -30.889
where: short stacking energy: -25.691
Base-Backbone interact. energy: -0.860
local terms energy: -55.109749
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -2.298
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: 9, replica: 4
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -80.550420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.550420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.550420 (E_RNA)
where:
Base-Base interactions energy: -32.942
where: short stacking energy: -31.451
Base-Backbone interact. energy: -0.036
local terms energy: -47.572105
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -11.670
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: -2.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -82.269137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.269137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.269137 (E_RNA)
where:
Base-Base interactions energy: -40.060
where: short stacking energy: -25.242
Base-Backbone interact. energy: -0.103
local terms energy: -42.106494
where:
bonds (distance) C4'-P energy: -13.016
bonds (distance) P-C4' energy: -11.594
flat angles C4'-P-C4' energy: -9.067
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -1.203
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: 1, replica: 8
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -227.806736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.806736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.806736 (E_RNA)
where:
Base-Base interactions energy: -146.803
where: short stacking energy: -66.989
Base-Backbone interact. energy: -0.408
local terms energy: -80.595908
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -19.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -216.785098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.785098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.785098 (E_RNA)
where:
Base-Base interactions energy: -135.782
where: short stacking energy: -59.734
Base-Backbone interact. energy: -1.282
local terms energy: -79.720801
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -18.818
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -17.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -187.399157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.399157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.399157 (E_RNA)
where:
Base-Base interactions energy: -114.997
where: short stacking energy: -74.768
Base-Backbone interact. energy: -0.007
local terms energy: -72.394799
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -19.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -173.957537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.957537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.957537 (E_RNA)
where:
Base-Base interactions energy: -106.447
where: short stacking energy: -66.552
Base-Backbone interact. energy: -0.056
local terms energy: -67.455236
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -15.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -164.009353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.009353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.009353 (E_RNA)
where:
Base-Base interactions energy: -102.537
where: short stacking energy: -61.876
Base-Backbone interact. energy: -0.108
local terms energy: -61.364740
where:
bonds (distance) C4'-P energy: -11.172
bonds (distance) P-C4' energy: -10.672
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -12.951
tors. eta vs tors. theta energy: -12.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -155.121318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.121318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.121318 (E_RNA)
where:
Base-Base interactions energy: -104.892
where: short stacking energy: -46.058
Base-Backbone interact. energy: 0.242
local terms energy: -50.471792
where:
bonds (distance) C4'-P energy: -9.200
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -10.162
flat angles P-C4'-P energy: -6.023
tors. eta vs tors. theta energy: -9.308
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: 7, replica: 6
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -103.372504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.372504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.372504 (E_RNA)
where:
Base-Base interactions energy: -46.419
where: short stacking energy: -46.419
Base-Backbone interact. energy: -0.004
local terms energy: -56.949030
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -15.192
flat angles C4'-P-C4' energy: -9.674
flat angles P-C4'-P energy: -5.270
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: 8, replica: 4
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -85.610966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.610966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.610966 (E_RNA)
where:
Base-Base interactions energy: -36.730
where: short stacking energy: -27.793
Base-Backbone interact. energy: -0.106
local terms energy: -48.775614
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -8.802
flat angles P-C4'-P energy: -6.501
tors. eta vs tors. theta energy: -0.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -87.777453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.777453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.777453 (E_RNA)
where:
Base-Base interactions energy: -36.988
where: short stacking energy: -37.288
Base-Backbone interact. energy: 5.385
local terms energy: -56.174706
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -8.635
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -8.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -69.129534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.129534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.129534 (E_RNA)
where:
Base-Base interactions energy: -27.653
where: short stacking energy: -27.653
Base-Backbone interact. energy: -0.011
local terms energy: -41.466232
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -7.891
flat angles P-C4'-P energy: -4.523
tors. eta vs tors. theta energy: -1.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -221.006202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.006202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.006202 (E_RNA)
where:
Base-Base interactions energy: -149.789
where: short stacking energy: -70.778
Base-Backbone interact. energy: -0.569
local terms energy: -70.648216
where:
bonds (distance) C4'-P energy: -10.645
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -17.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -220.944645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.944645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.944645 (E_RNA)
where:
Base-Base interactions energy: -148.834
where: short stacking energy: -65.857
Base-Backbone interact. energy: -0.223
local terms energy: -71.887669
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -21.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -181.824091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.824091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.824091 (E_RNA)
where:
Base-Base interactions energy: -107.464
where: short stacking energy: -58.707
Base-Backbone interact. energy: -0.150
local terms energy: -74.210119
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -16.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -174.905210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.905210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.905210 (E_RNA)
where:
Base-Base interactions energy: -104.240
where: short stacking energy: -52.562
Base-Backbone interact. energy: -0.819
local terms energy: -69.846384
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -12.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -167.222528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.222528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.222528 (E_RNA)
where:
Base-Base interactions energy: -104.088
where: short stacking energy: -60.649
Base-Backbone interact. energy: -0.005
local terms energy: -63.129728
where:
bonds (distance) C4'-P energy: -6.464
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -16.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -160.226015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.226015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.226015 (E_RNA)
where:
Base-Base interactions energy: -93.174
where: short stacking energy: -53.705
Base-Backbone interact. energy: -0.397
local terms energy: -66.654767
where:
bonds (distance) C4'-P energy: -10.939
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -14.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -84.844941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.844941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.844941 (E_RNA)
where:
Base-Base interactions energy: -29.330
where: short stacking energy: -29.330
Base-Backbone interact. energy: -0.202
local terms energy: -55.313033
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -2.509
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: 6
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -100.638895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.638895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.638895 (E_RNA)
where:
Base-Base interactions energy: -45.467
where: short stacking energy: -37.751
Base-Backbone interact. energy: -0.113
local terms energy: -55.058962
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -13.355
tors. eta vs tors. theta energy: -1.280
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: 1
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -81.674864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.674864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.674864 (E_RNA)
where:
Base-Base interactions energy: -28.715
where: short stacking energy: -28.715
Base-Backbone interact. energy: -0.165
local terms energy: -52.795625
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -2.094
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -6.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -84.764049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.764049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.764049 (E_RNA)
where:
Base-Base interactions energy: -27.099
where: short stacking energy: -27.099
Base-Backbone interact. energy: -0.138
local terms energy: -57.526809
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -12.994
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -7.991
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: 1, replica: 2
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -217.007629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.007629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.007629 (E_RNA)
where:
Base-Base interactions energy: -150.907
where: short stacking energy: -55.552
Base-Backbone interact. energy: -0.024
local terms energy: -66.075740
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -7.249
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: 2, replica: 8
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -214.758660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.758660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.758660 (E_RNA)
where:
Base-Base interactions energy: -145.005
where: short stacking energy: -67.961
Base-Backbone interact. energy: -0.047
local terms energy: -69.706032
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -7.480
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: 3, replica: 10
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -196.635704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.635704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.635704 (E_RNA)
where:
Base-Base interactions energy: -119.431
where: short stacking energy: -66.346
Base-Backbone interact. energy: -0.097
local terms energy: -77.107791
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -22.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -185.576891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.576891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.576891 (E_RNA)
where:
Base-Base interactions energy: -112.928
where: short stacking energy: -56.331
Base-Backbone interact. energy: -0.004
local terms energy: -72.644786
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -12.235
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: 5, replica: 9
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -159.873976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.873976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.873976 (E_RNA)
where:
Base-Base interactions energy: -115.483
where: short stacking energy: -48.182
Base-Backbone interact. energy: -0.223
local terms energy: -44.168415
where:
bonds (distance) C4'-P energy: -5.305
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -10.050
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -6.895
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: 6, replica: 3
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -141.918213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.918213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.918213 (E_RNA)
where:
Base-Base interactions energy: -90.421
where: short stacking energy: -50.738
Base-Backbone interact. energy: 0.113
local terms energy: -51.610308
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -6.923
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -8.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -93.580465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.580465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.580465 (E_RNA)
where:
Base-Base interactions energy: -43.963
where: short stacking energy: -26.278
Base-Backbone interact. energy: -0.175
local terms energy: -49.442902
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -5.308
flat angles P-C4'-P energy: -4.767
tors. eta vs tors. theta energy: -7.025
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: 1
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -82.901484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.901484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.901484 (E_RNA)
where:
Base-Base interactions energy: -34.838
where: short stacking energy: -30.589
Base-Backbone interact. energy: 1.198
local terms energy: -49.261688
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -2.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -84.056457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.056457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.056457 (E_RNA)
where:
Base-Base interactions energy: -30.905
where: short stacking energy: -30.905
Base-Backbone interact. energy: -0.212
local terms energy: -52.938874
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: -5.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -88.552034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.552034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.552034 (E_RNA)
where:
Base-Base interactions energy: -36.677
where: short stacking energy: -25.717
Base-Backbone interact. energy: -0.372
local terms energy: -51.503137
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: 3.890
tors. eta vs tors. theta energy: -10.544
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: 2
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -220.999820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.999820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.999820 (E_RNA)
where:
Base-Base interactions energy: -146.430
where: short stacking energy: -63.274
Base-Backbone interact. energy: -0.227
local terms energy: -74.343560
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -14.007
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: 8
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -207.944073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.944073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.944073 (E_RNA)
where:
Base-Base interactions energy: -139.263
where: short stacking energy: -63.049
Base-Backbone interact. energy: -0.023
local terms energy: -68.658509
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -6.349
tors. eta vs tors. theta energy: -20.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -193.273723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.273723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.273723 (E_RNA)
where:
Base-Base interactions energy: -114.834
where: short stacking energy: -65.769
Base-Backbone interact. energy: -0.006
local terms energy: -78.433865
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -16.595
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -18.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -179.059650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.059650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.059650 (E_RNA)
where:
Base-Base interactions energy: -114.033
where: short stacking energy: -62.520
Base-Backbone interact. energy: 0.319
local terms energy: -65.345956
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -7.439
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: 5, replica: 3
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -147.740486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.740486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.740486 (E_RNA)
where:
Base-Base interactions energy: -95.418
where: short stacking energy: -47.962
Base-Backbone interact. energy: 0.006
local terms energy: -52.328308
where:
bonds (distance) C4'-P energy: -10.121
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -4.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -156.878867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.878867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.878867 (E_RNA)
where:
Base-Base interactions energy: -95.368
where: short stacking energy: -50.181
Base-Backbone interact. energy: -0.112
local terms energy: -61.398478
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -5.355
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: 7, replica: 1
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -87.199662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.199662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.199662 (E_RNA)
where:
Base-Base interactions energy: -37.852
where: short stacking energy: -37.409
Base-Backbone interact. energy: -0.954
local terms energy: -48.393859
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -4.939
tors. eta vs tors. theta energy: -3.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -87.130535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.130535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.130535 (E_RNA)
where:
Base-Base interactions energy: -41.832
where: short stacking energy: -36.670
Base-Backbone interact. energy: 0.174
local terms energy: -45.473177
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -1.978
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -5.307
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: 7
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -81.310339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.310339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.310339 (E_RNA)
where:
Base-Base interactions energy: -36.128
where: short stacking energy: -34.570
Base-Backbone interact. energy: 1.703
local terms energy: -46.884969
where:
bonds (distance) C4'-P energy: -6.083
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: -3.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -73.077845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.077845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.077845 (E_RNA)
where:
Base-Base interactions energy: -32.181
where: short stacking energy: -32.083
Base-Backbone interact. energy: -0.109
local terms energy: -40.787076
where:
bonds (distance) C4'-P energy: -10.306
bonds (distance) P-C4' energy: -9.897
flat angles C4'-P-C4' energy: -9.313
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -3.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -220.915254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.915254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.915254 (E_RNA)
where:
Base-Base interactions energy: -148.992
where: short stacking energy: -60.962
Base-Backbone interact. energy: -1.227
local terms energy: -70.697029
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -7.299
tors. eta vs tors. theta energy: -15.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -213.653937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.653937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.653937 (E_RNA)
where:
Base-Base interactions energy: -140.743
where: short stacking energy: -50.456
Base-Backbone interact. energy: -0.019
local terms energy: -72.891811
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -12.513
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -17.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -197.113286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.113286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.113286 (E_RNA)
where:
Base-Base interactions energy: -122.700
where: short stacking energy: -62.837
Base-Backbone interact. energy: -0.038
local terms energy: -74.375222
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -16.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -178.857299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.857299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.857299 (E_RNA)
where:
Base-Base interactions energy: -105.160
where: short stacking energy: -59.176
Base-Backbone interact. energy: -0.158
local terms energy: -73.539696
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -16.860
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: 3
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -153.868892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.868892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.868892 (E_RNA)
where:
Base-Base interactions energy: -98.529
where: short stacking energy: -40.919
Base-Backbone interact. energy: -0.530
local terms energy: -54.809845
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -4.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -154.136091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.136091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.136091 (E_RNA)
where:
Base-Base interactions energy: -98.905
where: short stacking energy: -42.152
Base-Backbone interact. energy: -0.688
local terms energy: -54.542557
where:
bonds (distance) C4'-P energy: -5.507
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -10.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -122.060060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.060060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.060060 (E_RNA)
where:
Base-Base interactions energy: -70.679
where: short stacking energy: -44.366
Base-Backbone interact. energy: -1.075
local terms energy: -50.306606
where:
bonds (distance) C4'-P energy: -10.634
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -3.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -80.730854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.730854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.730854 (E_RNA)
where:
Base-Base interactions energy: -32.369
where: short stacking energy: -32.369
Base-Backbone interact. energy: -0.197
local terms energy: -48.164662
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -4.031
flat angles P-C4'-P energy: -10.557
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: 9, replica: 7
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -92.078224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.078224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.078224 (E_RNA)
where:
Base-Base interactions energy: -39.273
where: short stacking energy: -23.489
Base-Backbone interact. energy: -0.242
local terms energy: -52.562578
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -3.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -79.756418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.756418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.756418 (E_RNA)
where:
Base-Base interactions energy: -34.729
where: short stacking energy: -28.846
Base-Backbone interact. energy: -0.029
local terms energy: -44.998597
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -11.678
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -2.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -228.453708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.453708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.453708 (E_RNA)
where:
Base-Base interactions energy: -148.122
where: short stacking energy: -74.488
Base-Backbone interact. energy: -0.018
local terms energy: -80.314126
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -21.541
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: 8
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -225.871647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.871647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.871647 (E_RNA)
where:
Base-Base interactions energy: -150.431
where: short stacking energy: -74.538
Base-Backbone interact. energy: -0.453
local terms energy: -74.988042
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -13.232
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -21.041
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: 5
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -186.304530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.304530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.304530 (E_RNA)
where:
Base-Base interactions energy: -117.962
where: short stacking energy: -64.564
Base-Backbone interact. energy: -0.020
local terms energy: -68.322368
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -16.722
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: 10
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -180.462987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.462987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.462987 (E_RNA)
where:
Base-Base interactions energy: -110.984
where: short stacking energy: -59.900
Base-Backbone interact. energy: -0.018
local terms energy: -69.461058
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -18.712
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: 3
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -161.541007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.541007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.541007 (E_RNA)
where:
Base-Base interactions energy: -93.671
where: short stacking energy: -54.452
Base-Backbone interact. energy: -2.780
local terms energy: -65.089977
where:
bonds (distance) C4'-P energy: -10.245
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -11.582
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: 6, replica: 9
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -148.678181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.678181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.678181 (E_RNA)
where:
Base-Base interactions energy: -94.500
where: short stacking energy: -46.766
Base-Backbone interact. energy: -0.037
local terms energy: -54.141081
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -10.701
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -9.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -96.225231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.225231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.225231 (E_RNA)
where:
Base-Base interactions energy: -36.670
where: short stacking energy: -36.670
Base-Backbone interact. energy: -0.057
local terms energy: -59.498891
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -10.114
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: 8, replica: 1
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -91.963989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.963989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.963989 (E_RNA)
where:
Base-Base interactions energy: -49.492
where: short stacking energy: -16.849
Base-Backbone interact. energy: -0.479
local terms energy: -41.993408
where:
bonds (distance) C4'-P energy: -10.137
bonds (distance) P-C4' energy: -12.463
flat angles C4'-P-C4' energy: -9.999
flat angles P-C4'-P energy: -6.849
tors. eta vs tors. theta energy: -2.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -90.791142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.791142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.791142 (E_RNA)
where:
Base-Base interactions energy: -41.898
where: short stacking energy: -27.594
Base-Backbone interact. energy: -0.912
local terms energy: -47.981751
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: 0.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -79.979370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.979370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.979370 (E_RNA)
where:
Base-Base interactions energy: -38.040
where: short stacking energy: -25.549
Base-Backbone interact. energy: -0.512
local terms energy: -41.427488
where:
bonds (distance) C4'-P energy: -9.011
bonds (distance) P-C4' energy: -9.511
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -5.290
tors. eta vs tors. theta energy: 0.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -227.271875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.271875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.271875 (E_RNA)
where:
Base-Base interactions energy: -147.421
where: short stacking energy: -78.010
Base-Backbone interact. energy: -0.010
local terms energy: -79.840126
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -21.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -223.479243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.479243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.479243 (E_RNA)
where:
Base-Base interactions energy: -143.924
where: short stacking energy: -71.426
Base-Backbone interact. energy: -1.760
local terms energy: -77.795441
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -21.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -186.460894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.460894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.460894 (E_RNA)
where:
Base-Base interactions energy: -118.430
where: short stacking energy: -70.310
Base-Backbone interact. energy: -0.609
local terms energy: -67.422424
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -9.739
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -22.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -179.757980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.757980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.757980 (E_RNA)
where:
Base-Base interactions energy: -112.342
where: short stacking energy: -59.624
Base-Backbone interact. energy: -0.052
local terms energy: -67.363617
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -12.227
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: 3
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -166.059994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.059994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.059994 (E_RNA)
where:
Base-Base interactions energy: -101.304
where: short stacking energy: -60.073
Base-Backbone interact. energy: -0.003
local terms energy: -64.753438
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -14.171
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -9.818
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: 6, replica: 9
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -160.036714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.036714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.036714 (E_RNA)
where:
Base-Base interactions energy: -95.345
where: short stacking energy: -51.356
Base-Backbone interact. energy: -1.350
local terms energy: -63.342221
where:
bonds (distance) C4'-P energy: -9.598
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -14.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -89.812010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.812010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.812010 (E_RNA)
where:
Base-Base interactions energy: -35.009
where: short stacking energy: -27.636
Base-Backbone interact. energy: -0.121
local terms energy: -54.681539
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -1.326
tors. eta vs tors. theta energy: -4.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -91.221125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.221125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.221125 (E_RNA)
where:
Base-Base interactions energy: -38.302
where: short stacking energy: -35.772
Base-Backbone interact. energy: -0.098
local terms energy: -52.821061
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -1.147
tors. eta vs tors. theta energy: -9.559
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: 9, replica: 1
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -83.465040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.465040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.465040 (E_RNA)
where:
Base-Base interactions energy: -39.182
where: short stacking energy: -39.182
Base-Backbone interact. energy: 0.685
local terms energy: -44.968105
where:
bonds (distance) C4'-P energy: -9.561
bonds (distance) P-C4' energy: -9.215
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -10.227
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: 10, replica: 7
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -81.972677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.972677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.972677 (E_RNA)
where:
Base-Base interactions energy: -29.308
where: short stacking energy: -29.308
Base-Backbone interact. energy: -0.044
local terms energy: -52.620491
where:
bonds (distance) C4'-P energy: -11.533
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -9.261
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -4.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -223.342728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.342728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.342728 (E_RNA)
where:
Base-Base interactions energy: -144.781
where: short stacking energy: -71.653
Base-Backbone interact. energy: -0.577
local terms energy: -77.984773
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -20.971
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: 8
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -218.906591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.906591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.906591 (E_RNA)
where:
Base-Base interactions energy: -146.781
where: short stacking energy: -75.629
Base-Backbone interact. energy: 0.096
local terms energy: -72.221583
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -12.692
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -19.078
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: 160
Temperature: 1.000000
Total energy: -190.680485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.680485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.680485 (E_RNA)
where:
Base-Base interactions energy: -120.879
where: short stacking energy: -69.291
Base-Backbone interact. energy: -0.008
local terms energy: -69.793084
where:
bonds (distance) C4'-P energy: -11.359
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -12.015
tors. eta vs tors. theta energy: -20.074
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: 10
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -165.424770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.424770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.424770 (E_RNA)
where:
Base-Base interactions energy: -100.084
where: short stacking energy: -50.802
Base-Backbone interact. energy: -0.067
local terms energy: -65.273307
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -8.918
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: 5, replica: 9
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -174.181074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.181074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.181074 (E_RNA)
where:
Base-Base interactions energy: -103.016
where: short stacking energy: -57.819
Base-Backbone interact. energy: -0.102
local terms energy: -71.063242
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -13.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -164.049347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.049347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.049347 (E_RNA)
where:
Base-Base interactions energy: -102.009
where: short stacking energy: -52.195
Base-Backbone interact. energy: -0.091
local terms energy: -61.948998
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -7.156
tors. eta vs tors. theta energy: -10.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -81.810137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.810137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.810137 (E_RNA)
where:
Base-Base interactions energy: -32.382
where: short stacking energy: -32.228
Base-Backbone interact. energy: -0.225
local terms energy: -49.203601
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -12.008
flat angles C4'-P-C4' energy: -9.209
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -4.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -90.531076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.531076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.531076 (E_RNA)
where:
Base-Base interactions energy: -35.108
where: short stacking energy: -25.767
Base-Backbone interact. energy: 0.848
local terms energy: -56.271048
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -0.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -82.893092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.893092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.893092 (E_RNA)
where:
Base-Base interactions energy: -26.074
where: short stacking energy: -26.074
Base-Backbone interact. energy: -0.121
local terms energy: -56.698064
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -4.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -88.644241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.644241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.644241 (E_RNA)
where:
Base-Base interactions energy: -45.929
where: short stacking energy: -19.866
Base-Backbone interact. energy: -0.030
local terms energy: -42.685192
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -8.207
flat angles C4'-P-C4' energy: -9.389
flat angles P-C4'-P energy: -5.887
tors. eta vs tors. theta energy: -3.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -219.755989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.755989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.755989 (E_RNA)
where:
Base-Base interactions energy: -143.002
where: short stacking energy: -67.094
Base-Backbone interact. energy: -1.183
local terms energy: -75.570618
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -18.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -219.398037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.398037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.398037 (E_RNA)
where:
Base-Base interactions energy: -146.101
where: short stacking energy: -61.787
Base-Backbone interact. energy: -0.037
local terms energy: -73.260413
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -18.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -183.973228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.973228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.973228 (E_RNA)
where:
Base-Base interactions energy: -122.780
where: short stacking energy: -54.626
Base-Backbone interact. energy: -0.333
local terms energy: -60.859704
where:
bonds (distance) C4'-P energy: -7.811
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -10.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -165.883280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.883280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.883280 (E_RNA)
where:
Base-Base interactions energy: -102.799
where: short stacking energy: -46.582
Base-Backbone interact. energy: -0.586
local terms energy: -62.497983
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -10.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -175.967572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.967572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.967572 (E_RNA)
where:
Base-Base interactions energy: -107.750
where: short stacking energy: -59.651
Base-Backbone interact. energy: -0.236
local terms energy: -67.980954
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -9.421
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: 3
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -147.377988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.377988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.377988 (E_RNA)
where:
Base-Base interactions energy: -94.925
where: short stacking energy: -41.972
Base-Backbone interact. energy: 0.773
local terms energy: -53.226337
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -10.115
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -7.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -98.807890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.807890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.807890 (E_RNA)
where:
Base-Base interactions energy: -45.855
where: short stacking energy: -28.789
Base-Backbone interact. energy: -1.333
local terms energy: -51.620351
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -6.969
tors. eta vs tors. theta energy: -3.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -97.057502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.057502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.057502 (E_RNA)
where:
Base-Base interactions energy: -47.182
where: short stacking energy: -28.422
Base-Backbone interact. energy: 0.127
local terms energy: -50.002683
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: 0.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -79.958378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.958378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.958378 (E_RNA)
where:
Base-Base interactions energy: -33.817
where: short stacking energy: -23.588
Base-Backbone interact. energy: -0.388
local terms energy: -45.753513
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -10.123
flat angles P-C4'-P energy: -6.914
tors. eta vs tors. theta energy: -4.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -80.751131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.751131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.751131 (E_RNA)
where:
Base-Base interactions energy: -32.893
where: short stacking energy: -26.828
Base-Backbone interact. energy: -0.163
local terms energy: -47.694726
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -9.184
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -1.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -228.770460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.770460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.770460 (E_RNA)
where:
Base-Base interactions energy: -151.109
where: short stacking energy: -80.730
Base-Backbone interact. energy: -0.394
local terms energy: -77.267379
where:
bonds (distance) C4'-P energy: -12.068
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -22.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -219.465264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.465264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.465264 (E_RNA)
where:
Base-Base interactions energy: -145.741
where: short stacking energy: -68.251
Base-Backbone interact. energy: -0.038
local terms energy: -73.686615
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -18.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -179.744730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.744730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.744730 (E_RNA)
where:
Base-Base interactions energy: -115.733
where: short stacking energy: -45.041
Base-Backbone interact. energy: -1.106
local terms energy: -62.905799
where:
bonds (distance) C4'-P energy: -11.322
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -11.909
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -10.253
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: 5
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -168.038862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.038862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.038862 (E_RNA)
where:
Base-Base interactions energy: -104.773
where: short stacking energy: -58.636
Base-Backbone interact. energy: -0.052
local terms energy: -63.213931
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -15.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -159.759939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.759939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.759939 (E_RNA)
where:
Base-Base interactions energy: -99.921
where: short stacking energy: -41.019
Base-Backbone interact. energy: -0.684
local terms energy: -59.154676
where:
bonds (distance) C4'-P energy: -10.754
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -10.785
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: 6, replica: 9
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -182.888898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.888898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.888898 (E_RNA)
where:
Base-Base interactions energy: -112.176
where: short stacking energy: -57.349
Base-Backbone interact. energy: -0.331
local terms energy: -70.382016
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -8.579
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: 7, replica: 7
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -90.059812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.059812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.059812 (E_RNA)
where:
Base-Base interactions energy: -45.702
where: short stacking energy: -32.872
Base-Backbone interact. energy: -0.028
local terms energy: -44.329837
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -3.748
tors. eta vs tors. theta energy: 0.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -102.524268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.524268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.524268 (E_RNA)
where:
Base-Base interactions energy: -42.807
where: short stacking energy: -42.807
Base-Backbone interact. energy: -0.016
local terms energy: -59.701891
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -10.444
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -12.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -83.390768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.390768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.390768 (E_RNA)
where:
Base-Base interactions energy: -33.820
where: short stacking energy: -19.125
Base-Backbone interact. energy: 0.591
local terms energy: -50.160935
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -13.112
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -10.281
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: 6
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -73.613604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.613604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.613604 (E_RNA)
where:
Base-Base interactions energy: -23.193
where: short stacking energy: -24.114
Base-Backbone interact. energy: -0.329
local terms energy: -50.091978
where:
bonds (distance) C4'-P energy: -7.385
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -6.134
tors. eta vs tors. theta energy: -6.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -223.807809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.807809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.807809 (E_RNA)
where:
Base-Base interactions energy: -148.886
where: short stacking energy: -71.461
Base-Backbone interact. energy: -0.086
local terms energy: -74.835480
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -7.866
tors. eta vs tors. theta energy: -22.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -184.990569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.990569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.990569 (E_RNA)
where:
Base-Base interactions energy: -116.533
where: short stacking energy: -58.530
Base-Backbone interact. energy: 0.320
local terms energy: -68.777867
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -13.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -219.357759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.357759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.357759 (E_RNA)
where:
Base-Base interactions energy: -145.598
where: short stacking energy: -62.268
Base-Backbone interact. energy: -0.153
local terms energy: -73.606107
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: -15.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -174.312457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.312457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.312457 (E_RNA)
where:
Base-Base interactions energy: -110.487
where: short stacking energy: -52.453
Base-Backbone interact. energy: 0.311
local terms energy: -64.136034
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -9.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -160.273446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.273446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.273446 (E_RNA)
where:
Base-Base interactions energy: -106.111
where: short stacking energy: -50.798
Base-Backbone interact. energy: -0.004
local terms energy: -54.159099
where:
bonds (distance) C4'-P energy: -9.433
bonds (distance) P-C4' energy: -12.224
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -10.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -178.011821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.011821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.011821 (E_RNA)
where:
Base-Base interactions energy: -112.608
where: short stacking energy: -58.502
Base-Backbone interact. energy: -0.378
local terms energy: -65.025768
where:
bonds (distance) C4'-P energy: -11.873
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -14.430
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: 7
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -99.980943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.980943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.980943 (E_RNA)
where:
Base-Base interactions energy: -47.194
where: short stacking energy: -45.857
Base-Backbone interact. energy: -1.170
local terms energy: -51.616641
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -3.017
tors. eta vs tors. theta energy: -8.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -93.694388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.694388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.694388 (E_RNA)
where:
Base-Base interactions energy: -50.023
where: short stacking energy: -31.929
Base-Backbone interact. energy: 0.511
local terms energy: -44.182276
where:
bonds (distance) C4'-P energy: -9.870
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: 1.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -80.074280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.074280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.074280 (E_RNA)
where:
Base-Base interactions energy: -29.962
where: short stacking energy: -26.640
Base-Backbone interact. energy: -0.093
local terms energy: -50.019058
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -4.988
tors. eta vs tors. theta energy: 0.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -86.256040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.256040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.256040 (E_RNA)
where:
Base-Base interactions energy: -41.111
where: short stacking energy: -28.337
Base-Backbone interact. energy: -0.503
local terms energy: -44.641765
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -6.005
tors. eta vs tors. theta energy: 2.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -216.334374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.334374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.334374 (E_RNA)
where:
Base-Base interactions energy: -136.817
where: short stacking energy: -70.093
Base-Backbone interact. energy: -0.633
local terms energy: -78.884576
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -12.522
flat angles C4'-P-C4' energy: -18.997
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -17.462
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: 164
Temperature: 0.950000
Total energy: -179.060262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.060262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.060262 (E_RNA)
where:
Base-Base interactions energy: -111.905
where: short stacking energy: -61.497
Base-Backbone interact. energy: -0.634
local terms energy: -66.520525
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -10.778
flat angles P-C4'-P energy: -8.353
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: 3, replica: 2
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -215.174352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.174352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.174352 (E_RNA)
where:
Base-Base interactions energy: -139.815
where: short stacking energy: -59.281
Base-Backbone interact. energy: -1.538
local terms energy: -73.821588
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -15.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -188.755973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.755973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.755973 (E_RNA)
where:
Base-Base interactions energy: -115.863
where: short stacking energy: -52.401
Base-Backbone interact. energy: -1.069
local terms energy: -71.823908
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -6.011
tors. eta vs tors. theta energy: -17.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -179.450337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.450337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.450337 (E_RNA)
where:
Base-Base interactions energy: -117.443
where: short stacking energy: -50.711
Base-Backbone interact. energy: -0.122
local terms energy: -61.885689
where:
bonds (distance) C4'-P energy: -10.610
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -12.774
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -13.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -158.904999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.904999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.904999 (E_RNA)
where:
Base-Base interactions energy: -102.042
where: short stacking energy: -49.714
Base-Backbone interact. energy: -0.096
local terms energy: -56.766819
where:
bonds (distance) C4'-P energy: -6.801
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -12.032
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -10.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -97.133915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.133915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.133915 (E_RNA)
where:
Base-Base interactions energy: -45.060
where: short stacking energy: -31.158
Base-Backbone interact. energy: 0.282
local terms energy: -52.355620
where:
bonds (distance) C4'-P energy: -8.739
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -5.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -84.729124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.729124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.729124 (E_RNA)
where:
Base-Base interactions energy: -33.626
where: short stacking energy: -24.942
Base-Backbone interact. energy: -0.005
local terms energy: -51.098141
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -5.828
tors. eta vs tors. theta energy: -4.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -91.420252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.420252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.420252 (E_RNA)
where:
Base-Base interactions energy: -33.515
where: short stacking energy: -29.178
Base-Backbone interact. energy: -0.113
local terms energy: -57.792116
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -18.712
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -1.551
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: 4
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -74.722463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.722463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.722463 (E_RNA)
where:
Base-Base interactions energy: -36.104
where: short stacking energy: -36.104
Base-Backbone interact. energy: -0.031
local terms energy: -38.587880
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -2.045
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: -6.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -226.078077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.078077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.078077 (E_RNA)
where:
Base-Base interactions energy: -153.920
where: short stacking energy: -63.003
Base-Backbone interact. energy: -0.093
local terms energy: -72.065184
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -12.513
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -18.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -213.190138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.190138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.190138 (E_RNA)
where:
Base-Base interactions energy: -139.746
where: short stacking energy: -59.810
Base-Backbone interact. energy: -0.769
local terms energy: -72.675386
where:
bonds (distance) C4'-P energy: -11.272
bonds (distance) P-C4' energy: -11.664
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: -21.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -197.555886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.555886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.555886 (E_RNA)
where:
Base-Base interactions energy: -129.705
where: short stacking energy: -65.048
Base-Backbone interact. energy: -0.122
local terms energy: -67.729094
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -18.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -174.339114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.339114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.339114 (E_RNA)
where:
Base-Base interactions energy: -113.085
where: short stacking energy: -53.029
Base-Backbone interact. energy: -1.088
local terms energy: -60.166830
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -12.117
flat angles C4'-P-C4' energy: -18.193
flat angles P-C4'-P energy: -5.321
tors. eta vs tors. theta energy: -10.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -168.711345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.711345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.711345 (E_RNA)
where:
Base-Base interactions energy: -97.838
where: short stacking energy: -56.020
Base-Backbone interact. energy: -1.738
local terms energy: -69.135685
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -15.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -161.552199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.552199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.552199 (E_RNA)
where:
Base-Base interactions energy: -108.330
where: short stacking energy: -54.422
Base-Backbone interact. energy: -0.246
local terms energy: -52.975999
where:
bonds (distance) C4'-P energy: -7.387
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -9.631
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: 7, replica: 1
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -89.003693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.003693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.003693 (E_RNA)
where:
Base-Base interactions energy: -37.947
where: short stacking energy: -29.667
Base-Backbone interact. energy: -0.012
local terms energy: -51.044721
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: 1.391
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: 7
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -80.851767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.851767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.851767 (E_RNA)
where:
Base-Base interactions energy: -35.392
where: short stacking energy: -20.459
Base-Backbone interact. energy: -0.105
local terms energy: -45.354945
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: 2.738
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: 6
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -83.450410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.450410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.450410 (E_RNA)
where:
Base-Base interactions energy: -24.096
where: short stacking energy: -23.446
Base-Backbone interact. energy: -0.792
local terms energy: -58.562360
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -4.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -84.989788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.989788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.989788 (E_RNA)
where:
Base-Base interactions energy: -28.344
where: short stacking energy: -28.344
Base-Backbone interact. energy: -0.096
local terms energy: -56.549916
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -5.823
tors. eta vs tors. theta energy: -7.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -220.738433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.738433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.738433 (E_RNA)
where:
Base-Base interactions energy: -146.558
where: short stacking energy: -70.938
Base-Backbone interact. energy: -0.085
local terms energy: -74.095275
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -18.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -220.427024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.427024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.427024 (E_RNA)
where:
Base-Base interactions energy: -145.684
where: short stacking energy: -75.323
Base-Backbone interact. energy: -0.043
local terms energy: -74.699909
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -21.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -187.791075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.791075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.791075 (E_RNA)
where:
Base-Base interactions energy: -124.810
where: short stacking energy: -62.398
Base-Backbone interact. energy: -0.637
local terms energy: -62.344115
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -7.339
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: 4, replica: 9
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -159.404101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.404101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.404101 (E_RNA)
where:
Base-Base interactions energy: -93.869
where: short stacking energy: -57.384
Base-Backbone interact. energy: -0.876
local terms energy: -64.659199
where:
bonds (distance) C4'-P energy: -5.837
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -13.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -168.892335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.892335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.892335 (E_RNA)
where:
Base-Base interactions energy: -104.793
where: short stacking energy: -54.181
Base-Backbone interact. energy: -0.003
local terms energy: -64.096501
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -5.672
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: 6, replica: 3
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -156.232226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.232226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.232226 (E_RNA)
where:
Base-Base interactions energy: -89.525
where: short stacking energy: -39.577
Base-Backbone interact. energy: -0.020
local terms energy: -66.687197
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -11.029
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: 7, replica: 7
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -89.742765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.742765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.742765 (E_RNA)
where:
Base-Base interactions energy: -38.009
where: short stacking energy: -35.602
Base-Backbone interact. energy: 0.419
local terms energy: -52.153423
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -10.159
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -3.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -83.626560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.626560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.626560 (E_RNA)
where:
Base-Base interactions energy: -34.916
where: short stacking energy: -16.805
Base-Backbone interact. energy: -0.364
local terms energy: -48.346925
where:
bonds (distance) C4'-P energy: -10.311
bonds (distance) P-C4' energy: -12.939
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -1.900
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: 4
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -89.657791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.657791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.657791 (E_RNA)
where:
Base-Base interactions energy: -38.601
where: short stacking energy: -34.233
Base-Backbone interact. energy: -0.108
local terms energy: -50.948743
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -0.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -74.341779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.341779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.341779 (E_RNA)
where:
Base-Base interactions energy: -28.255
where: short stacking energy: -24.074
Base-Backbone interact. energy: -0.136
local terms energy: -45.950961
where:
bonds (distance) C4'-P energy: -8.435
bonds (distance) P-C4' energy: -9.740
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -2.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -223.268795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.268795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.268795 (E_RNA)
where:
Base-Base interactions energy: -149.434
where: short stacking energy: -72.160
Base-Backbone interact. energy: -0.012
local terms energy: -73.822733
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -21.039
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: 2
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -219.595387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.595387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.595387 (E_RNA)
where:
Base-Base interactions energy: -139.603
where: short stacking energy: -70.422
Base-Backbone interact. energy: -0.322
local terms energy: -79.669969
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -17.919
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -19.691
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: 10
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -166.069542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.069542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.069542 (E_RNA)
where:
Base-Base interactions energy: -103.022
where: short stacking energy: -54.599
Base-Backbone interact. energy: -0.049
local terms energy: -62.998663
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -11.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -177.222153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.222153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.222153 (E_RNA)
where:
Base-Base interactions energy: -111.446
where: short stacking energy: -62.943
Base-Backbone interact. energy: -0.616
local terms energy: -65.160106
where:
bonds (distance) C4'-P energy: -7.197
bonds (distance) P-C4' energy: -15.760
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -16.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -158.131585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.131585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.131585 (E_RNA)
where:
Base-Base interactions energy: -98.174
where: short stacking energy: -48.597
Base-Backbone interact. energy: -0.282
local terms energy: -59.675449
where:
bonds (distance) C4'-P energy: -10.951
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -10.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -161.371968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.371968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.371968 (E_RNA)
where:
Base-Base interactions energy: -101.535
where: short stacking energy: -51.813
Base-Backbone interact. energy: -0.424
local terms energy: -59.413403
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -11.434
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: 7, replica: 7
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -91.947716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.947716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.947716 (E_RNA)
where:
Base-Base interactions energy: -44.914
where: short stacking energy: -30.413
Base-Backbone interact. energy: -0.712
local terms energy: -46.322178
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -3.768
tors. eta vs tors. theta energy: -4.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -94.029521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.029521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.029521 (E_RNA)
where:
Base-Base interactions energy: -42.146
where: short stacking energy: -38.871
Base-Backbone interact. energy: 0.632
local terms energy: -52.515226
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -2.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -82.296138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.296138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.296138 (E_RNA)
where:
Base-Base interactions energy: -28.522
where: short stacking energy: -28.522
Base-Backbone interact. energy: 0.041
local terms energy: -53.815638
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -2.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -80.230848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.230848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.230848 (E_RNA)
where:
Base-Base interactions energy: -29.384
where: short stacking energy: -21.529
Base-Backbone interact. energy: -0.645
local terms energy: -50.201636
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -11.390
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -13.412
tors. eta vs tors. theta energy: 4.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -233.143671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.143671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.143671 (E_RNA)
where:
Base-Base interactions energy: -145.549
where: short stacking energy: -70.213
Base-Backbone interact. energy: -1.266
local terms energy: -86.328559
where:
bonds (distance) C4'-P energy: -16.641
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -13.828
tors. eta vs tors. theta energy: -22.064
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: 8
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -224.659737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.659737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.659737 (E_RNA)
where:
Base-Base interactions energy: -148.306
where: short stacking energy: -67.131
Base-Backbone interact. energy: -0.022
local terms energy: -76.331697
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -19.754
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: 3, replica: 5
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -175.219511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.219511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.219511 (E_RNA)
where:
Base-Base interactions energy: -108.625
where: short stacking energy: -58.747
Base-Backbone interact. energy: -0.000
local terms energy: -66.594403
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -14.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -162.144394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.144394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.144394 (E_RNA)
where:
Base-Base interactions energy: -103.808
where: short stacking energy: -32.308
Base-Backbone interact. energy: -0.929
local terms energy: -57.407738
where:
bonds (distance) C4'-P energy: -9.624
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -9.669
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: 9
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -159.484944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.484944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.484944 (E_RNA)
where:
Base-Base interactions energy: -98.674
where: short stacking energy: -49.908
Base-Backbone interact. energy: -0.535
local terms energy: -60.276271
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -10.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -150.248880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.248880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.248880 (E_RNA)
where:
Base-Base interactions energy: -81.245
where: short stacking energy: -44.288
Base-Backbone interact. energy: -0.052
local terms energy: -68.951946
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -12.505
tors. eta vs tors. theta energy: -9.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -88.926567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.926567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.926567 (E_RNA)
where:
Base-Base interactions energy: -31.450
where: short stacking energy: -25.437
Base-Backbone interact. energy: -0.136
local terms energy: -57.340278
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -3.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -90.315410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.315410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.315410 (E_RNA)
where:
Base-Base interactions energy: -35.283
where: short stacking energy: -35.283
Base-Backbone interact. energy: -0.124
local terms energy: -54.908709
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -3.838
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: 9, replica: 1
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -80.911094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.911094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.911094 (E_RNA)
where:
Base-Base interactions energy: -31.056
where: short stacking energy: -26.576
Base-Backbone interact. energy: 0.077
local terms energy: -49.932916
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -1.025
tors. eta vs tors. theta energy: -5.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -84.535175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.535175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.535175 (E_RNA)
where:
Base-Base interactions energy: -28.441
where: short stacking energy: -24.563
Base-Backbone interact. energy: -0.020
local terms energy: -56.073987
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -3.565
tors. eta vs tors. theta energy: -7.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -228.706990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.706990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.706990 (E_RNA)
where:
Base-Base interactions energy: -146.677
where: short stacking energy: -69.030
Base-Backbone interact. energy: -1.099
local terms energy: -80.930784
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -14.569
tors. eta vs tors. theta energy: -21.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -209.968393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.968393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.968393 (E_RNA)
where:
Base-Base interactions energy: -144.297
where: short stacking energy: -73.594
Base-Backbone interact. energy: -0.152
local terms energy: -65.519773
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -8.726
flat angles C4'-P-C4' energy: -16.566
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -15.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -164.803975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.803975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.803975 (E_RNA)
where:
Base-Base interactions energy: -101.044
where: short stacking energy: -61.131
Base-Backbone interact. energy: -0.113
local terms energy: -63.646559
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -9.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -180.673211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.673211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.673211 (E_RNA)
where:
Base-Base interactions energy: -117.990
where: short stacking energy: -57.869
Base-Backbone interact. energy: -0.919
local terms energy: -61.764204
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -10.111
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -11.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -161.038749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.038749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.038749 (E_RNA)
where:
Base-Base interactions energy: -105.498
where: short stacking energy: -45.931
Base-Backbone interact. energy: -0.911
local terms energy: -54.629186
where:
bonds (distance) C4'-P energy: -7.293
bonds (distance) P-C4' energy: -18.659
flat angles C4'-P-C4' energy: -11.502
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -9.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -147.022778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.022778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.022778 (E_RNA)
where:
Base-Base interactions energy: -89.870
where: short stacking energy: -42.700
Base-Backbone interact. energy: -0.537
local terms energy: -56.615508
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -6.189
tors. eta vs tors. theta energy: -6.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -95.428845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.428845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.428845 (E_RNA)
where:
Base-Base interactions energy: -37.769
where: short stacking energy: -36.977
Base-Backbone interact. energy: -0.188
local terms energy: -57.471116
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -9.518
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -9.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -96.412758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.412758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.412758 (E_RNA)
where:
Base-Base interactions energy: -57.188
where: short stacking energy: -34.602
Base-Backbone interact. energy: -0.096
local terms energy: -39.129183
where:
bonds (distance) C4'-P energy: -7.389
bonds (distance) P-C4' energy: -8.895
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -1.731
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: 9, replica: 7
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -89.353183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.353183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.353183 (E_RNA)
where:
Base-Base interactions energy: -35.192
where: short stacking energy: -31.011
Base-Backbone interact. energy: 0.092
local terms energy: -54.253076
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -6.947
tors. eta vs tors. theta energy: -2.721
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: 6
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -72.280507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.280507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.280507 (E_RNA)
where:
Base-Base interactions energy: -22.336
where: short stacking energy: -22.315
Base-Backbone interact. energy: -0.088
local terms energy: -49.856964
where:
bonds (distance) C4'-P energy: -10.953
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -1.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -213.146719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.146719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.146719 (E_RNA)
where:
Base-Base interactions energy: -145.911
where: short stacking energy: -55.737
Base-Backbone interact. energy: -0.131
local terms energy: -67.104633
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -10.071
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: 2, replica: 2
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -219.642958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.642958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.642958 (E_RNA)
where:
Base-Base interactions energy: -138.866
where: short stacking energy: -66.787
Base-Backbone interact. energy: -0.020
local terms energy: -80.756741
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -22.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -186.708006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.708006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.708006 (E_RNA)
where:
Base-Base interactions energy: -117.232
where: short stacking energy: -68.207
Base-Backbone interact. energy: -0.018
local terms energy: -69.457656
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -18.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -180.702931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.702931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.702931 (E_RNA)
where:
Base-Base interactions energy: -109.951
where: short stacking energy: -64.678
Base-Backbone interact. energy: -0.003
local terms energy: -70.749520
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -12.091
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: 5, replica: 3
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -167.957619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.957619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.957619 (E_RNA)
where:
Base-Base interactions energy: -105.708
where: short stacking energy: -61.775
Base-Backbone interact. energy: -0.405
local terms energy: -61.844707
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -8.882
flat angles P-C4'-P energy: -6.498
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: 6, replica: 10
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -143.443728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.443728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.443728 (E_RNA)
where:
Base-Base interactions energy: -82.110
where: short stacking energy: -44.709
Base-Backbone interact. energy: -0.114
local terms energy: -61.220458
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -7.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -103.208351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.208351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.208351 (E_RNA)
where:
Base-Base interactions energy: -58.638
where: short stacking energy: -43.533
Base-Backbone interact. energy: -0.041
local terms energy: -44.529354
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -6.994
flat angles C4'-P-C4' energy: -10.150
flat angles P-C4'-P energy: -8.433
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: 8, replica: 4
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -91.494938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.494938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.494938 (E_RNA)
where:
Base-Base interactions energy: -35.703
where: short stacking energy: -32.660
Base-Backbone interact. energy: -0.343
local terms energy: -55.448648
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -6.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -86.159476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.159476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.159476 (E_RNA)
where:
Base-Base interactions energy: -40.627
where: short stacking energy: -21.753
Base-Backbone interact. energy: -0.610
local terms energy: -44.922803
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -9.455
flat angles C4'-P-C4' energy: -11.593
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -3.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -73.791779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.791779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.791779 (E_RNA)
where:
Base-Base interactions energy: -32.076
where: short stacking energy: -29.862
Base-Backbone interact. energy: -0.116
local terms energy: -41.599593
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -10.492
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -5.036
tors. eta vs tors. theta energy: -0.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -219.194050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.194050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.194050 (E_RNA)
where:
Base-Base interactions energy: -140.454
where: short stacking energy: -65.770
Base-Backbone interact. energy: -0.407
local terms energy: -78.332566
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -13.706
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: 2, replica: 9
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -197.251140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.251140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.251140 (E_RNA)
where:
Base-Base interactions energy: -128.767
where: short stacking energy: -65.078
Base-Backbone interact. energy: 0.753
local terms energy: -69.236976
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -11.191
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -13.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -209.779625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.779625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.779625 (E_RNA)
where:
Base-Base interactions energy: -145.082
where: short stacking energy: -54.254
Base-Backbone interact. energy: 0.638
local terms energy: -65.336418
where:
bonds (distance) C4'-P energy: -14.245
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -13.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -179.370770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.370770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.370770 (E_RNA)
where:
Base-Base interactions energy: -109.987
where: short stacking energy: -55.669
Base-Backbone interact. energy: -0.001
local terms energy: -69.382562
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -8.406
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: 5, replica: 3
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -167.161277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.161277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.161277 (E_RNA)
where:
Base-Base interactions energy: -106.901
where: short stacking energy: -55.675
Base-Backbone interact. energy: -0.230
local terms energy: -60.030073
where:
bonds (distance) C4'-P energy: -14.796
bonds (distance) P-C4' energy: -8.484
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -7.367
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: 6, replica: 1
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -133.247669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.247669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.247669 (E_RNA)
where:
Base-Base interactions energy: -74.946
where: short stacking energy: -42.803
Base-Backbone interact. energy: -0.452
local terms energy: -57.850012
where:
bonds (distance) C4'-P energy: -12.540
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -7.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -139.138965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.138965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.138965 (E_RNA)
where:
Base-Base interactions energy: -84.998
where: short stacking energy: -49.876
Base-Backbone interact. energy: -0.190
local terms energy: -53.951384
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -8.184
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -9.651
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: 8, replica: 6
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -96.297256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.297256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.297256 (E_RNA)
where:
Base-Base interactions energy: -35.310
where: short stacking energy: -35.310
Base-Backbone interact. energy: -0.117
local terms energy: -60.870537
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -9.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -84.775494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.775494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.775494 (E_RNA)
where:
Base-Base interactions energy: -23.928
where: short stacking energy: -23.928
Base-Backbone interact. energy: 0.298
local terms energy: -61.145278
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -4.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -83.882661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.882661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.882661 (E_RNA)
where:
Base-Base interactions energy: -28.676
where: short stacking energy: -27.904
Base-Backbone interact. energy: -0.120
local terms energy: -55.086533
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -9.907
flat angles P-C4'-P energy: -10.226
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: 1, replica: 8
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -222.617571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.617571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.617571 (E_RNA)
where:
Base-Base interactions energy: -142.996
where: short stacking energy: -65.569
Base-Backbone interact. energy: -0.005
local terms energy: -79.616937
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -19.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -185.279809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.279809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.279809 (E_RNA)
where:
Base-Base interactions energy: -116.611
where: short stacking energy: -55.946
Base-Backbone interact. energy: -0.004
local terms energy: -68.664741
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -16.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -208.641870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.641870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.641870 (E_RNA)
where:
Base-Base interactions energy: -139.445
where: short stacking energy: -55.587
Base-Backbone interact. energy: -0.094
local terms energy: -69.102118
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -6.472
tors. eta vs tors. theta energy: -17.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -170.591772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.591772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.591772 (E_RNA)
where:
Base-Base interactions energy: -102.089
where: short stacking energy: -50.290
Base-Backbone interact. energy: -1.873
local terms energy: -66.629541
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -9.311
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -14.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -145.821717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.821717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.821717 (E_RNA)
where:
Base-Base interactions energy: -79.458
where: short stacking energy: -42.567
Base-Backbone interact. energy: -0.171
local terms energy: -66.192264
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -9.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -109.492432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.492432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.492432 (E_RNA)
where:
Base-Base interactions energy: -52.991
where: short stacking energy: -39.057
Base-Backbone interact. energy: -0.017
local terms energy: -56.484490
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -8.361
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -9.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -91.021319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.021319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.021319 (E_RNA)
where:
Base-Base interactions energy: -36.153
where: short stacking energy: -36.153
Base-Backbone interact. energy: -3.280
local terms energy: -51.588560
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -4.902
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: 8, replica: 10
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -136.775270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.775270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.775270 (E_RNA)
where:
Base-Base interactions energy: -84.838
where: short stacking energy: -40.475
Base-Backbone interact. energy: 1.853
local terms energy: -53.789974
where:
bonds (distance) C4'-P energy: -8.828
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -10.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -85.367200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.367200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.367200 (E_RNA)
where:
Base-Base interactions energy: -29.857
where: short stacking energy: -28.549
Base-Backbone interact. energy: -0.300
local terms energy: -55.210740
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -3.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -67.746371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.746371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.746371 (E_RNA)
where:
Base-Base interactions energy: -24.224
where: short stacking energy: -24.224
Base-Backbone interact. energy: 0.163
local terms energy: -43.685748
where:
bonds (distance) C4'-P energy: -8.587
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -11.833
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -1.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -230.537775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.537775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.537775 (E_RNA)
where:
Base-Base interactions energy: -153.535
where: short stacking energy: -81.753
Base-Backbone interact. energy: 0.198
local terms energy: -77.201501
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: -22.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -220.837651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.837651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.837651 (E_RNA)
where:
Base-Base interactions energy: -147.763
where: short stacking energy: -69.338
Base-Backbone interact. energy: -0.536
local terms energy: -72.538693
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -16.443
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -22.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -185.299379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.299379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.299379 (E_RNA)
where:
Base-Base interactions energy: -112.511
where: short stacking energy: -64.394
Base-Backbone interact. energy: -0.012
local terms energy: -72.775627
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -16.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -179.979736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.979736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.979736 (E_RNA)
where:
Base-Base interactions energy: -117.470
where: short stacking energy: -57.858
Base-Backbone interact. energy: -0.239
local terms energy: -62.270916
where:
bonds (distance) C4'-P energy: -17.188
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -6.171
tors. eta vs tors. theta energy: -13.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -141.071021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.071021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.071021 (E_RNA)
where:
Base-Base interactions energy: -84.639
where: short stacking energy: -40.589
Base-Backbone interact. energy: -0.911
local terms energy: -55.521060
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -10.117
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -8.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -105.924255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.924255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.924255 (E_RNA)
where:
Base-Base interactions energy: -44.484
where: short stacking energy: -35.999
Base-Backbone interact. energy: -0.095
local terms energy: -61.344839
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -4.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -118.639143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.639143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.639143 (E_RNA)
where:
Base-Base interactions energy: -62.746
where: short stacking energy: -48.598
Base-Backbone interact. energy: 2.508
local terms energy: -58.400686
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -10.153
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -11.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -114.587462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.587462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.587462 (E_RNA)
where:
Base-Base interactions energy: -59.873
where: short stacking energy: -32.467
Base-Backbone interact. energy: -0.578
local terms energy: -54.136616
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: 1.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -81.244138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.244138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.244138 (E_RNA)
where:
Base-Base interactions energy: -30.057
where: short stacking energy: -29.639
Base-Backbone interact. energy: -0.022
local terms energy: -51.164495
where:
bonds (distance) C4'-P energy: -9.971
bonds (distance) P-C4' energy: -15.217
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -5.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -73.997582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.997582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.997582 (E_RNA)
where:
Base-Base interactions energy: -23.378
where: short stacking energy: -23.378
Base-Backbone interact. energy: -0.108
local terms energy: -50.511699
where:
bonds (distance) C4'-P energy: -9.934
bonds (distance) P-C4' energy: -11.307
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -1.090
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: 2
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -224.319554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.319554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.319554 (E_RNA)
where:
Base-Base interactions energy: -146.194
where: short stacking energy: -64.884
Base-Backbone interact. energy: -0.254
local terms energy: -77.871866
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -14.742
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -21.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -237.261295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.261295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.261295 (E_RNA)
where:
Base-Base interactions energy: -153.253
where: short stacking energy: -79.776
Base-Backbone interact. energy: -0.252
local terms energy: -83.755780
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -23.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -192.688017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.688017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.688017 (E_RNA)
where:
Base-Base interactions energy: -116.720
where: short stacking energy: -67.483
Base-Backbone interact. energy: -0.298
local terms energy: -75.670029
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -19.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -167.387834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.387834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.387834 (E_RNA)
where:
Base-Base interactions energy: -107.479
where: short stacking energy: -51.334
Base-Backbone interact. energy: -0.092
local terms energy: -59.816370
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -12.131
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -13.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -152.292438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.292438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.292438 (E_RNA)
where:
Base-Base interactions energy: -92.301
where: short stacking energy: -50.597
Base-Backbone interact. energy: -0.180
local terms energy: -59.810985
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -8.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -91.646384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.646384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.646384 (E_RNA)
where:
Base-Base interactions energy: -33.503
where: short stacking energy: -30.748
Base-Backbone interact. energy: 2.672
local terms energy: -60.815634
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -3.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -133.202683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.202683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.202683 (E_RNA)
where:
Base-Base interactions energy: -77.803
where: short stacking energy: -46.495
Base-Backbone interact. energy: -0.397
local terms energy: -55.002955
where:
bonds (distance) C4'-P energy: -10.698
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -10.122
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: 8, replica: 7
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -87.593358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.593358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.593358 (E_RNA)
where:
Base-Base interactions energy: -34.132
where: short stacking energy: -34.022
Base-Backbone interact. energy: -0.475
local terms energy: -52.985957
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -2.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -74.896461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.896461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.896461 (E_RNA)
where:
Base-Base interactions energy: -33.755
where: short stacking energy: -28.875
Base-Backbone interact. energy: -0.167
local terms energy: -40.974599
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -9.347
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: 1.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -82.502293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.502293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.502293 (E_RNA)
where:
Base-Base interactions energy: -39.151
where: short stacking energy: -30.565
Base-Backbone interact. energy: -0.798
local terms energy: -42.553127
where:
bonds (distance) C4'-P energy: -12.982
bonds (distance) P-C4' energy: -7.898
flat angles C4'-P-C4' energy: -11.119
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -2.374
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: 175
Temperature: 0.900000
Total energy: -219.379574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.379574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.379574 (E_RNA)
where:
Base-Base interactions energy: -142.057
where: short stacking energy: -68.068
Base-Backbone interact. energy: -0.005
local terms energy: -77.317712
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -18.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -202.983928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.983928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.983928 (E_RNA)
where:
Base-Base interactions energy: -129.324
where: short stacking energy: -61.538
Base-Backbone interact. energy: -0.097
local terms energy: -73.562429
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -19.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -211.834536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.834536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.834536 (E_RNA)
where:
Base-Base interactions energy: -131.720
where: short stacking energy: -67.001
Base-Backbone interact. energy: -1.001
local terms energy: -79.113015
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -19.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -179.530087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.530087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.530087 (E_RNA)
where:
Base-Base interactions energy: -111.574
where: short stacking energy: -58.583
Base-Backbone interact. energy: -0.753
local terms energy: -67.203636
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -10.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -148.621443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.621443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.621443 (E_RNA)
where:
Base-Base interactions energy: -85.944
where: short stacking energy: -51.902
Base-Backbone interact. energy: -0.028
local terms energy: -62.648831
where:
bonds (distance) C4'-P energy: -7.334
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -9.070
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: 6, replica: 6
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -151.012136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.012136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.012136 (E_RNA)
where:
Base-Base interactions energy: -90.134
where: short stacking energy: -53.522
Base-Backbone interact. energy: 0.527
local terms energy: -61.404682
where:
bonds (distance) C4'-P energy: -14.652
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -10.377
flat angles P-C4'-P energy: -8.573
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: 1
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -99.487181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.487181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.487181 (E_RNA)
where:
Base-Base interactions energy: -48.155
where: short stacking energy: -26.796
Base-Backbone interact. energy: 0.246
local terms energy: -51.577797
where:
bonds (distance) C4'-P energy: -10.033
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: -3.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -94.712157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.712157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.712157 (E_RNA)
where:
Base-Base interactions energy: -45.882
where: short stacking energy: -40.824
Base-Backbone interact. energy: -0.597
local terms energy: -48.232517
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -8.337
flat angles P-C4'-P energy: -8.070
tors. eta vs tors. theta energy: -6.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -90.190046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.190046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.190046 (E_RNA)
where:
Base-Base interactions energy: -43.018
where: short stacking energy: -19.334
Base-Backbone interact. energy: -0.508
local terms energy: -46.663899
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -11.367
flat angles P-C4'-P energy: -5.793
tors. eta vs tors. theta energy: -0.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -72.800400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.800400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.800400 (E_RNA)
where:
Base-Base interactions energy: -27.765
where: short stacking energy: -18.890
Base-Backbone interact. energy: -0.443
local terms energy: -44.592423
where:
bonds (distance) C4'-P energy: -8.266
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: 4.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -223.894105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.894105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.894105 (E_RNA)
where:
Base-Base interactions energy: -143.198
where: short stacking energy: -68.542
Base-Backbone interact. energy: 0.312
local terms energy: -81.007372
where:
bonds (distance) C4'-P energy: -14.652
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -21.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -196.716291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.716291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.716291 (E_RNA)
where:
Base-Base interactions energy: -117.925
where: short stacking energy: -63.372
Base-Backbone interact. energy: -1.158
local terms energy: -77.633491
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -18.080
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -18.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -215.003155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.003155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.003155 (E_RNA)
where:
Base-Base interactions energy: -142.514
where: short stacking energy: -71.962
Base-Backbone interact. energy: -1.668
local terms energy: -70.820434
where:
bonds (distance) C4'-P energy: -10.406
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -18.849
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: 5
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -180.880962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.880962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.880962 (E_RNA)
where:
Base-Base interactions energy: -114.254
where: short stacking energy: -59.791
Base-Backbone interact. energy: -2.015
local terms energy: -64.611959
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -7.032
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -14.047
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: 6
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -177.370910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.370910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.370910 (E_RNA)
where:
Base-Base interactions energy: -110.113
where: short stacking energy: -47.804
Base-Backbone interact. energy: -1.233
local terms energy: -66.024084
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -11.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -151.926878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.926878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.926878 (E_RNA)
where:
Base-Base interactions energy: -96.435
where: short stacking energy: -44.077
Base-Backbone interact. energy: 2.950
local terms energy: -58.441724
where:
bonds (distance) C4'-P energy: -8.513
bonds (distance) P-C4' energy: -16.953
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -10.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -91.970739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.970739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.970739 (E_RNA)
where:
Base-Base interactions energy: -41.073
where: short stacking energy: -39.697
Base-Backbone interact. energy: -0.038
local terms energy: -50.858900
where:
bonds (distance) C4'-P energy: -8.704
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -5.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -86.379196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.379196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.379196 (E_RNA)
where:
Base-Base interactions energy: -37.035
where: short stacking energy: -23.515
Base-Backbone interact. energy: -0.269
local terms energy: -49.075420
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: 0.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -93.651352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.651352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.651352 (E_RNA)
where:
Base-Base interactions energy: -44.130
where: short stacking energy: -37.233
Base-Backbone interact. energy: -0.023
local terms energy: -49.498949
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -9.589
flat angles P-C4'-P energy: -6.468
tors. eta vs tors. theta energy: -8.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -82.415722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.415722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.415722 (E_RNA)
where:
Base-Base interactions energy: -40.892
where: short stacking energy: -28.937
Base-Backbone interact. energy: 1.218
local terms energy: -42.741804
where:
bonds (distance) C4'-P energy: -10.030
bonds (distance) P-C4' energy: -11.846
flat angles C4'-P-C4' energy: -9.829
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -2.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -221.428240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.428240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.428240 (E_RNA)
where:
Base-Base interactions energy: -138.369
where: short stacking energy: -65.025
Base-Backbone interact. energy: -0.744
local terms energy: -82.314702
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -14.057
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: 2, replica: 8
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -220.229604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.229604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.229604 (E_RNA)
where:
Base-Base interactions energy: -143.236
where: short stacking energy: -65.942
Base-Backbone interact. energy: -0.001
local terms energy: -76.992260
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -18.054
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -21.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -185.360693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.360693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.360693 (E_RNA)
where:
Base-Base interactions energy: -112.620
where: short stacking energy: -60.226
Base-Backbone interact. energy: -0.465
local terms energy: -72.275213
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -10.893
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: 6
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -180.267467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.267467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.267467 (E_RNA)
where:
Base-Base interactions energy: -111.611
where: short stacking energy: -54.303
Base-Backbone interact. energy: -0.940
local terms energy: -67.716395
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -11.083
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: 5, replica: 5
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -169.736153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.736153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.736153 (E_RNA)
where:
Base-Base interactions energy: -97.059
where: short stacking energy: -64.476
Base-Backbone interact. energy: -0.018
local terms energy: -72.659058
where:
bonds (distance) C4'-P energy: -10.419
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -18.472
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: 6, replica: 3
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -147.813764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.813764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.813764 (E_RNA)
where:
Base-Base interactions energy: -89.533
where: short stacking energy: -33.057
Base-Backbone interact. energy: -1.138
local terms energy: -57.141899
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -2.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -96.116508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.116508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.116508 (E_RNA)
where:
Base-Base interactions energy: -37.799
where: short stacking energy: -37.799
Base-Backbone interact. energy: -0.019
local terms energy: -58.297962
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -12.190
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -13.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -94.865231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.865231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.865231 (E_RNA)
where:
Base-Base interactions energy: -42.583
where: short stacking energy: -33.216
Base-Backbone interact. energy: -0.078
local terms energy: -52.204074
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -10.457
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -4.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -78.965497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.965497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.965497 (E_RNA)
where:
Base-Base interactions energy: -33.311
where: short stacking energy: -21.936
Base-Backbone interact. energy: -0.233
local terms energy: -45.421177
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -8.825
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -1.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -78.893042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.893042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.893042 (E_RNA)
where:
Base-Base interactions energy: -32.642
where: short stacking energy: -28.351
Base-Backbone interact. energy: -0.204
local terms energy: -46.047385
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -9.909
flat angles P-C4'-P energy: -5.412
tors. eta vs tors. theta energy: -2.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -219.755953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.755953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.755953 (E_RNA)
where:
Base-Base interactions energy: -151.025
where: short stacking energy: -66.711
Base-Backbone interact. energy: -0.316
local terms energy: -68.414245
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -11.130
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -22.095
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: 2
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -218.965798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.965798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.965798 (E_RNA)
where:
Base-Base interactions energy: -146.543
where: short stacking energy: -60.106
Base-Backbone interact. energy: -0.421
local terms energy: -72.002012
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -21.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -188.345308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.345308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.345308 (E_RNA)
where:
Base-Base interactions energy: -117.889
where: short stacking energy: -61.788
Base-Backbone interact. energy: -0.159
local terms energy: -70.297812
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -11.279
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: 178
Temperature: 1.050000
Total energy: -185.616731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.616731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.616731 (E_RNA)
where:
Base-Base interactions energy: -120.275
where: short stacking energy: -46.747
Base-Backbone interact. energy: -0.134
local terms energy: -65.208263
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -10.095
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -13.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -147.475955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.475955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.475955 (E_RNA)
where:
Base-Base interactions energy: -87.700
where: short stacking energy: -31.404
Base-Backbone interact. energy: -0.832
local terms energy: -58.944459
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -5.286
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: 5
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -170.854332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.854332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.854332 (E_RNA)
where:
Base-Base interactions energy: -105.122
where: short stacking energy: -55.452
Base-Backbone interact. energy: -0.004
local terms energy: -65.728862
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -12.960
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -8.401
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: 7, replica: 7
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -108.227642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.227642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.227642 (E_RNA)
where:
Base-Base interactions energy: -50.743
where: short stacking energy: -33.028
Base-Backbone interact. energy: -0.157
local terms energy: -57.328165
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -6.310
tors. eta vs tors. theta energy: -6.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -77.507202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.507202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.507202 (E_RNA)
where:
Base-Base interactions energy: -28.751
where: short stacking energy: -28.751
Base-Backbone interact. energy: -0.060
local terms energy: -48.696325
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -4.810
tors. eta vs tors. theta energy: -4.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -82.626760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.626760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.626760 (E_RNA)
where:
Base-Base interactions energy: -34.117
where: short stacking energy: -34.117
Base-Backbone interact. energy: -0.047
local terms energy: -48.462150
where:
bonds (distance) C4'-P energy: -10.338
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -10.080
flat angles P-C4'-P energy: -6.809
tors. eta vs tors. theta energy: -7.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -106.097405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.097405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.097405 (E_RNA)
where:
Base-Base interactions energy: -60.248
where: short stacking energy: -24.717
Base-Backbone interact. energy: 0.784
local terms energy: -46.633943
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -10.352
flat angles P-C4'-P energy: -3.600
tors. eta vs tors. theta energy: -3.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -226.235570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.235570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.235570 (E_RNA)
where:
Base-Base interactions energy: -159.559
where: short stacking energy: -58.314
Base-Backbone interact. energy: -0.711
local terms energy: -65.966157
where:
bonds (distance) C4'-P energy: -10.575
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -9.038
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: 2, replica: 2
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -219.864988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.864988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.864988 (E_RNA)
where:
Base-Base interactions energy: -146.746
where: short stacking energy: -60.054
Base-Backbone interact. energy: -0.026
local terms energy: -73.093818
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -18.729
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: 3, replica: 9
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -178.410872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.410872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.410872 (E_RNA)
where:
Base-Base interactions energy: -112.609
where: short stacking energy: -62.552
Base-Backbone interact. energy: -0.035
local terms energy: -65.766854
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -11.036
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -4.139
tors. eta vs tors. theta energy: -18.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -170.767903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.767903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.767903 (E_RNA)
where:
Base-Base interactions energy: -102.470
where: short stacking energy: -43.434
Base-Backbone interact. energy: -0.046
local terms energy: -68.252427
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -12.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -165.938634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.938634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.938634 (E_RNA)
where:
Base-Base interactions energy: -104.327
where: short stacking energy: -47.044
Base-Backbone interact. energy: 0.510
local terms energy: -62.121664
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -8.369
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -14.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -100.097621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.097621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.097621 (E_RNA)
where:
Base-Base interactions energy: -47.800
where: short stacking energy: -18.723
Base-Backbone interact. energy: -0.309
local terms energy: -51.988605
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -0.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -155.342926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.342926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.342926 (E_RNA)
where:
Base-Base interactions energy: -90.374
where: short stacking energy: -48.256
Base-Backbone interact. energy: 1.790
local terms energy: -66.759817
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -12.312
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -13.167
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: 4
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -90.297035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.297035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.297035 (E_RNA)
where:
Base-Base interactions energy: -42.018
where: short stacking energy: -33.956
Base-Backbone interact. energy: 0.503
local terms energy: -48.782065
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -10.903
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -6.606
tors. eta vs tors. theta energy: -1.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -89.246821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.246821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.246821 (E_RNA)
where:
Base-Base interactions energy: -31.298
where: short stacking energy: -31.270
Base-Backbone interact. energy: -0.185
local terms energy: -57.763893
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -7.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -85.678944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.678944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.678944 (E_RNA)
where:
Base-Base interactions energy: -33.831
where: short stacking energy: -31.084
Base-Backbone interact. energy: -0.057
local terms energy: -51.791524
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -1.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -218.785201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.785201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.785201 (E_RNA)
where:
Base-Base interactions energy: -139.230
where: short stacking energy: -63.349
Base-Backbone interact. energy: -0.113
local terms energy: -79.442068
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -13.330
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: 8
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -219.154719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.154719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.154719 (E_RNA)
where:
Base-Base interactions energy: -139.262
where: short stacking energy: -72.414
Base-Backbone interact. energy: -0.079
local terms energy: -79.813936
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: -19.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -167.210152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.210152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.210152 (E_RNA)
where:
Base-Base interactions energy: -108.087
where: short stacking energy: -53.860
Base-Backbone interact. energy: -0.055
local terms energy: -59.068975
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -8.986
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: 4, replica: 9
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -171.424462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.424462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.424462 (E_RNA)
where:
Base-Base interactions energy: -109.693
where: short stacking energy: -51.586
Base-Backbone interact. energy: -0.042
local terms energy: -61.689527
where:
bonds (distance) C4'-P energy: -12.494
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -11.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -179.084172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.084172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.084172 (E_RNA)
where:
Base-Base interactions energy: -116.363
where: short stacking energy: -56.237
Base-Backbone interact. energy: -0.164
local terms energy: -62.557363
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -12.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -88.808315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.808315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.808315 (E_RNA)
where:
Base-Base interactions energy: -36.004
where: short stacking energy: -36.004
Base-Backbone interact. energy: -0.275
local terms energy: -52.529527
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -3.711
tors. eta vs tors. theta energy: -7.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -93.929175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.929175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.929175 (E_RNA)
where:
Base-Base interactions energy: -44.747
where: short stacking energy: -33.687
Base-Backbone interact. energy: 0.913
local terms energy: -50.094430
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -11.984
flat angles C4'-P-C4' energy: -10.473
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -5.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -143.489750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.489750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.489750 (E_RNA)
where:
Base-Base interactions energy: -88.233
where: short stacking energy: -46.181
Base-Backbone interact. energy: -0.014
local terms energy: -55.242356
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -3.365
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -13.431
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: 10
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -80.095031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.095031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.095031 (E_RNA)
where:
Base-Base interactions energy: -33.535
where: short stacking energy: -31.042
Base-Backbone interact. energy: -0.108
local terms energy: -46.452401
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -10.591
flat angles P-C4'-P energy: -4.677
tors. eta vs tors. theta energy: -3.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -77.280845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.280845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.280845 (E_RNA)
where:
Base-Base interactions energy: -29.989
where: short stacking energy: -26.410
Base-Backbone interact. energy: -0.036
local terms energy: -47.256067
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -11.735
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: 0.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -225.577152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.577152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.577152 (E_RNA)
where:
Base-Base interactions energy: -148.244
where: short stacking energy: -70.920
Base-Backbone interact. energy: -0.000
local terms energy: -77.333183
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -19.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -227.287756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.287756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.287756 (E_RNA)
where:
Base-Base interactions energy: -149.661
where: short stacking energy: -73.980
Base-Backbone interact. energy: -0.006
local terms energy: -77.620782
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -22.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -170.964138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.964138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.964138 (E_RNA)
where:
Base-Base interactions energy: -103.840
where: short stacking energy: -57.005
Base-Backbone interact. energy: -0.277
local terms energy: -66.847107
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -10.651
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: 4, replica: 6
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -183.085429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.085429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.085429 (E_RNA)
where:
Base-Base interactions energy: -118.645
where: short stacking energy: -53.555
Base-Backbone interact. energy: 0.034
local terms energy: -64.474081
where:
bonds (distance) C4'-P energy: -8.650
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -9.820
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: 9
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -168.735999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.735999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.735999 (E_RNA)
where:
Base-Base interactions energy: -96.040
where: short stacking energy: -54.975
Base-Backbone interact. energy: -0.310
local terms energy: -72.386339
where:
bonds (distance) C4'-P energy: -10.136
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -17.351
flat angles P-C4'-P energy: -10.294
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: 7
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -99.558909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.558909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.558909 (E_RNA)
where:
Base-Base interactions energy: -41.024
where: short stacking energy: -23.985
Base-Backbone interact. energy: 1.867
local terms energy: -60.401706
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -15.211
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -8.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -84.284220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.284220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.284220 (E_RNA)
where:
Base-Base interactions energy: -32.203
where: short stacking energy: -31.702
Base-Backbone interact. energy: -0.259
local terms energy: -51.822740
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -3.218
tors. eta vs tors. theta energy: -8.147
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: 5
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -127.096837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.096837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.096837 (E_RNA)
where:
Base-Base interactions energy: -72.606
where: short stacking energy: -44.494
Base-Backbone interact. energy: -0.003
local terms energy: -54.488417
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -11.603
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -6.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -74.373304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.373304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.373304 (E_RNA)
where:
Base-Base interactions energy: -26.771
where: short stacking energy: -26.244
Base-Backbone interact. energy: -0.213
local terms energy: -47.389845
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -11.540
flat angles C4'-P-C4' energy: -11.332
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: 1.149
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: 1
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -80.295398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.295398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.295398 (E_RNA)
where:
Base-Base interactions energy: -30.343
where: short stacking energy: -27.869
Base-Backbone interact. energy: -0.048
local terms energy: -49.904636
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -9.875
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -2.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -226.083446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.083446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.083446 (E_RNA)
where:
Base-Base interactions energy: -145.062
where: short stacking energy: -68.686
Base-Backbone interact. energy: -0.059
local terms energy: -80.962608
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -17.658
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -21.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -226.919990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.919990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.919990 (E_RNA)
where:
Base-Base interactions energy: -149.653
where: short stacking energy: -74.954
Base-Backbone interact. energy: -0.586
local terms energy: -76.680518
where:
bonds (distance) C4'-P energy: -10.415
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -22.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -198.598323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.598323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.598323 (E_RNA)
where:
Base-Base interactions energy: -131.733
where: short stacking energy: -50.831
Base-Backbone interact. energy: -0.214
local terms energy: -66.651309
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -13.249
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: 4, replica: 3
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -167.936094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.936094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.936094 (E_RNA)
where:
Base-Base interactions energy: -102.179
where: short stacking energy: -47.662
Base-Backbone interact. energy: -0.506
local terms energy: -65.251566
where:
bonds (distance) C4'-P energy: -12.005
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -13.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -166.402580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.402580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.402580 (E_RNA)
where:
Base-Base interactions energy: -101.951
where: short stacking energy: -48.040
Base-Backbone interact. energy: -0.141
local terms energy: -64.310338
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -10.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -132.491430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.491430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.491430 (E_RNA)
where:
Base-Base interactions energy: -85.672
where: short stacking energy: -36.735
Base-Backbone interact. energy: 0.756
local terms energy: -47.575610
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -11.841
flat angles C4'-P-C4' energy: -2.345
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -9.669
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: 5
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -150.958639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.958639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.958639 (E_RNA)
where:
Base-Base interactions energy: -93.484
where: short stacking energy: -51.935
Base-Backbone interact. energy: -0.072
local terms energy: -57.402006
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -4.423
tors. eta vs tors. theta energy: -9.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -81.627631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.627631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.627631 (E_RNA)
where:
Base-Base interactions energy: -27.058
where: short stacking energy: -26.531
Base-Backbone interact. energy: 1.074
local terms energy: -55.643914
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -3.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -89.194932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.194932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.194932 (E_RNA)
where:
Base-Base interactions energy: -41.190
where: short stacking energy: -33.956
Base-Backbone interact. energy: -0.325
local terms energy: -47.680103
where:
bonds (distance) C4'-P energy: -5.881
bonds (distance) P-C4' energy: -9.518
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: -8.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -78.466221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.466221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.466221 (E_RNA)
where:
Base-Base interactions energy: -32.209
where: short stacking energy: -31.795
Base-Backbone interact. energy: 0.750
local terms energy: -47.006731
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -5.269
tors. eta vs tors. theta energy: -3.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -227.922087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.922087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.922087 (E_RNA)
where:
Base-Base interactions energy: -146.083
where: short stacking energy: -77.288
Base-Backbone interact. energy: -0.312
local terms energy: -81.527656
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -18.029
flat angles P-C4'-P energy: -13.484
tors. eta vs tors. theta energy: -19.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -220.703060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.703060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.703060 (E_RNA)
where:
Base-Base interactions energy: -141.495
where: short stacking energy: -72.123
Base-Backbone interact. energy: -0.048
local terms energy: -79.159612
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -15.562
tors. eta vs tors. theta energy: -21.273
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: 3, replica: 6
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -197.691026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.691026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.691026 (E_RNA)
where:
Base-Base interactions energy: -121.924
where: short stacking energy: -64.878
Base-Backbone interact. energy: -0.394
local terms energy: -75.372811
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -6.820
tors. eta vs tors. theta energy: -21.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -166.055199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.055199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.055199 (E_RNA)
where:
Base-Base interactions energy: -96.226
where: short stacking energy: -59.841
Base-Backbone interact. energy: -0.018
local terms energy: -69.811128
where:
bonds (distance) C4'-P energy: -8.820
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -11.069
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: 5, replica: 9
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -163.808261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.808261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.808261 (E_RNA)
where:
Base-Base interactions energy: -91.925
where: short stacking energy: -62.451
Base-Backbone interact. energy: 0.207
local terms energy: -72.089722
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -13.540
tors. eta vs tors. theta energy: -18.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -132.198159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.198159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.198159 (E_RNA)
where:
Base-Base interactions energy: -78.598
where: short stacking energy: -41.434
Base-Backbone interact. energy: -0.129
local terms energy: -53.471490
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -13.031
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -9.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -146.214897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.214897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.214897 (E_RNA)
where:
Base-Base interactions energy: -86.157
where: short stacking energy: -43.948
Base-Backbone interact. energy: -0.031
local terms energy: -60.026777
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -9.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -81.970224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.970224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.970224 (E_RNA)
where:
Base-Base interactions energy: -24.436
where: short stacking energy: -24.436
Base-Backbone interact. energy: -0.010
local terms energy: -57.525033
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -6.323
tors. eta vs tors. theta energy: -4.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -84.507277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.507277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.507277 (E_RNA)
where:
Base-Base interactions energy: -35.647
where: short stacking energy: -28.926
Base-Backbone interact. energy: -0.023
local terms energy: -48.837313
where:
bonds (distance) C4'-P energy: -10.224
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -5.283
tors. eta vs tors. theta energy: -6.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -81.989956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.989956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.989956 (E_RNA)
where:
Base-Base interactions energy: -27.853
where: short stacking energy: -27.853
Base-Backbone interact. energy: -0.200
local terms energy: -53.937787
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -3.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -219.631392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.631392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.631392 (E_RNA)
where:
Base-Base interactions energy: -144.677
where: short stacking energy: -74.098
Base-Backbone interact. energy: -0.030
local terms energy: -74.924287
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -7.952
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: 2, replica: 2
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -224.499540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.499540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.499540 (E_RNA)
where:
Base-Base interactions energy: -140.706
where: short stacking energy: -55.647
Base-Backbone interact. energy: -2.451
local terms energy: -81.342701
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -13.178
tors. eta vs tors. theta energy: -22.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -193.111752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.111752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.111752 (E_RNA)
where:
Base-Base interactions energy: -121.424
where: short stacking energy: -65.560
Base-Backbone interact. energy: -0.008
local terms energy: -71.679485
where:
bonds (distance) C4'-P energy: -10.116
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -12.888
tors. eta vs tors. theta energy: -20.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -180.070436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.070436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.070436 (E_RNA)
where:
Base-Base interactions energy: -112.502
where: short stacking energy: -66.510
Base-Backbone interact. energy: -1.116
local terms energy: -66.452437
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -10.572
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -19.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -163.400894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.400894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.400894 (E_RNA)
where:
Base-Base interactions energy: -102.658
where: short stacking energy: -34.279
Base-Backbone interact. energy: -0.486
local terms energy: -60.256647
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -11.610
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: 6, replica: 5
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -160.601253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.601253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.601253 (E_RNA)
where:
Base-Base interactions energy: -104.565
where: short stacking energy: -48.515
Base-Backbone interact. energy: -0.135
local terms energy: -55.901128
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -8.075
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -7.446
tors. eta vs tors. theta energy: -11.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -113.130151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.130151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.130151 (E_RNA)
where:
Base-Base interactions energy: -57.314
where: short stacking energy: -31.012
Base-Backbone interact. energy: -0.216
local terms energy: -55.600427
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -11.204
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -7.222
tors. eta vs tors. theta energy: -7.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -82.395106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.395106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.395106 (E_RNA)
where:
Base-Base interactions energy: -35.744
where: short stacking energy: -35.228
Base-Backbone interact. energy: -0.145
local terms energy: -46.506926
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -8.042
flat angles P-C4'-P energy: -7.398
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: 9, replica: 10
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -94.543989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.543989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.543989 (E_RNA)
where:
Base-Base interactions energy: -38.743
where: short stacking energy: -38.743
Base-Backbone interact. energy: 0.025
local terms energy: -55.825806
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -11.571
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -9.022
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: 10, replica: 1
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -79.661428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.661428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.661428 (E_RNA)
where:
Base-Base interactions energy: -43.993
where: short stacking energy: -18.910
Base-Backbone interact. energy: 0.047
local terms energy: -35.714725
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -8.595
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: 1.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -219.610051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.610051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.610051 (E_RNA)
where:
Base-Base interactions energy: -142.818
where: short stacking energy: -61.294
Base-Backbone interact. energy: -0.376
local terms energy: -76.416226
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -22.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -214.599022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.599022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.599022 (E_RNA)
where:
Base-Base interactions energy: -145.252
where: short stacking energy: -55.989
Base-Backbone interact. energy: 1.102
local terms energy: -70.449011
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -18.286
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -16.512
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: 6
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -178.236770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.236770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.236770 (E_RNA)
where:
Base-Base interactions energy: -105.484
where: short stacking energy: -56.768
Base-Backbone interact. energy: -0.396
local terms energy: -72.356959
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -11.977
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -15.345
tors. eta vs tors. theta energy: -15.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -167.427723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.427723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.427723 (E_RNA)
where:
Base-Base interactions energy: -97.802
where: short stacking energy: -50.184
Base-Backbone interact. energy: -0.237
local terms energy: -69.389520
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -13.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -156.874410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.874410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.874410 (E_RNA)
where:
Base-Base interactions energy: -81.975
where: short stacking energy: -43.311
Base-Backbone interact. energy: -0.310
local terms energy: -74.589339
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -17.763
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -15.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -153.313718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.313718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.313718 (E_RNA)
where:
Base-Base interactions energy: -89.600
where: short stacking energy: -40.461
Base-Backbone interact. energy: -0.842
local terms energy: -62.872062
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -10.532
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: 7, replica: 7
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -83.197936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.197936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.197936 (E_RNA)
where:
Base-Base interactions energy: -35.970
where: short stacking energy: -31.408
Base-Backbone interact. energy: -0.187
local terms energy: -47.041264
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -15.074
flat angles C4'-P-C4' energy: -8.860
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -0.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -84.416869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.416869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.416869 (E_RNA)
where:
Base-Base interactions energy: -33.559
where: short stacking energy: -33.559
Base-Backbone interact. energy: -0.143
local terms energy: -50.715617
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -4.914
tors. eta vs tors. theta energy: -1.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -86.477466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.477466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.477466 (E_RNA)
where:
Base-Base interactions energy: -39.455
where: short stacking energy: -39.455
Base-Backbone interact. energy: -0.012
local terms energy: -47.010288
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -7.793
flat angles P-C4'-P energy: -4.385
tors. eta vs tors. theta energy: -7.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -95.931232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.931232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.931232 (E_RNA)
where:
Base-Base interactions energy: -55.363
where: short stacking energy: -33.814
Base-Backbone interact. energy: -0.095
local terms energy: -40.472563
where:
bonds (distance) C4'-P energy: -9.511
bonds (distance) P-C4' energy: -10.450
flat angles C4'-P-C4' energy: -9.385
flat angles P-C4'-P energy: -6.667
tors. eta vs tors. theta energy: -4.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -218.945004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.945004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.945004 (E_RNA)
where:
Base-Base interactions energy: -145.080
where: short stacking energy: -54.161
Base-Backbone interact. energy: -1.711
local terms energy: -72.154473
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -11.966
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -15.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -212.312056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.312056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.312056 (E_RNA)
where:
Base-Base interactions energy: -149.804
where: short stacking energy: -54.418
Base-Backbone interact. energy: -0.217
local terms energy: -62.290516
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -11.001
flat angles P-C4'-P energy: -4.036
tors. eta vs tors. theta energy: -16.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -174.405979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.405979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.405979 (E_RNA)
where:
Base-Base interactions energy: -100.705
where: short stacking energy: -58.908
Base-Backbone interact. energy: -0.014
local terms energy: -73.687093
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -9.696
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: 4, replica: 6
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -182.537602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.537602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.537602 (E_RNA)
where:
Base-Base interactions energy: -115.963
where: short stacking energy: -54.696
Base-Backbone interact. energy: 0.042
local terms energy: -66.616697
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -13.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -168.379083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.379083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.379083 (E_RNA)
where:
Base-Base interactions energy: -106.558
where: short stacking energy: -51.505
Base-Backbone interact. energy: -0.022
local terms energy: -61.798572
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -12.226
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: 5
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -166.162336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.162336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.162336 (E_RNA)
where:
Base-Base interactions energy: -102.313
where: short stacking energy: -48.383
Base-Backbone interact. energy: 0.447
local terms energy: -64.295894
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -15.848
flat angles C4'-P-C4' energy: -9.822
flat angles P-C4'-P energy: -11.097
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: 7, replica: 10
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -93.253037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.253037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.253037 (E_RNA)
where:
Base-Base interactions energy: -46.398
where: short stacking energy: -34.248
Base-Backbone interact. energy: 0.262
local terms energy: -47.117361
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -12.340
flat angles C4'-P-C4' energy: -9.602
flat angles P-C4'-P energy: -4.855
tors. eta vs tors. theta energy: -6.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -82.966758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.966758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.966758 (E_RNA)
where:
Base-Base interactions energy: -34.085
where: short stacking energy: -30.272
Base-Backbone interact. energy: -0.230
local terms energy: -48.651684
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -0.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -102.576417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.576417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.576417 (E_RNA)
where:
Base-Base interactions energy: -60.205
where: short stacking energy: -23.713
Base-Backbone interact. energy: -0.449
local terms energy: -41.922229
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -11.068
flat angles P-C4'-P energy: -4.494
tors. eta vs tors. theta energy: 1.088
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: 4
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -84.801696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.801696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.801696 (E_RNA)
where:
Base-Base interactions energy: -26.836
where: short stacking energy: -26.836
Base-Backbone interact. energy: -0.019
local terms energy: -57.946764
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -14.401
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -6.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -216.369936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.369936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.369936 (E_RNA)
where:
Base-Base interactions energy: -142.657
where: short stacking energy: -62.143
Base-Backbone interact. energy: -0.589
local terms energy: -73.124221
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -7.458
tors. eta vs tors. theta energy: -18.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -213.913199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.913199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.913199 (E_RNA)
where:
Base-Base interactions energy: -143.398
where: short stacking energy: -60.903
Base-Backbone interact. energy: -0.005
local terms energy: -70.510299
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -8.169
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: 3, replica: 9
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -176.379383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.379383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.379383 (E_RNA)
where:
Base-Base interactions energy: -104.192
where: short stacking energy: -56.983
Base-Backbone interact. energy: -0.146
local terms energy: -72.041437
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -15.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -179.513513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.513513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.513513 (E_RNA)
where:
Base-Base interactions energy: -107.419
where: short stacking energy: -55.470
Base-Backbone interact. energy: 0.073
local terms energy: -72.166831
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -14.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -179.817185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.817185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.817185 (E_RNA)
where:
Base-Base interactions energy: -108.084
where: short stacking energy: -60.682
Base-Backbone interact. energy: -2.196
local terms energy: -69.538089
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -17.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -158.495370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.495370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.495370 (E_RNA)
where:
Base-Base interactions energy: -98.636
where: short stacking energy: -49.972
Base-Backbone interact. energy: 0.959
local terms energy: -60.818591
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -5.696
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: 10
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -87.886138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.886138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.886138 (E_RNA)
where:
Base-Base interactions energy: -36.120
where: short stacking energy: -34.297
Base-Backbone interact. energy: -0.311
local terms energy: -51.454822
where:
bonds (distance) C4'-P energy: -10.086
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -4.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -79.852708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.852708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.852708 (E_RNA)
where:
Base-Base interactions energy: -26.104
where: short stacking energy: -22.019
Base-Backbone interact. energy: -0.151
local terms energy: -53.597153
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -10.349
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -5.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -80.693573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.693573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.693573 (E_RNA)
where:
Base-Base interactions energy: -28.830
where: short stacking energy: -29.167
Base-Backbone interact. energy: 0.929
local terms energy: -52.793025
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -12.506
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -2.911
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: 10, replica: 4
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -79.095033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.095033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.095033 (E_RNA)
where:
Base-Base interactions energy: -26.539
where: short stacking energy: -26.539
Base-Backbone interact. energy: -0.125
local terms energy: -52.431098
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -7.730
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: 1, replica: 8
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -223.040187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.040187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.040187 (E_RNA)
where:
Base-Base interactions energy: -144.144
where: short stacking energy: -56.804
Base-Backbone interact. energy: -0.963
local terms energy: -77.933098
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -19.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -221.647347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.647347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.647347 (E_RNA)
where:
Base-Base interactions energy: -143.307
where: short stacking energy: -69.506
Base-Backbone interact. energy: -0.113
local terms energy: -78.227821
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -12.147
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: 188
Temperature: 1.000000
Total energy: -190.516519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.516519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.516519 (E_RNA)
where:
Base-Base interactions energy: -116.037
where: short stacking energy: -55.336
Base-Backbone interact. energy: -0.518
local terms energy: -73.962269
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -17.211
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -17.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -195.701036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.701036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.701036 (E_RNA)
where:
Base-Base interactions energy: -124.008
where: short stacking energy: -66.986
Base-Backbone interact. energy: -0.049
local terms energy: -71.643464
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -20.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -178.685702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.685702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.685702 (E_RNA)
where:
Base-Base interactions energy: -108.538
where: short stacking energy: -58.819
Base-Backbone interact. energy: -0.103
local terms energy: -70.044633
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -17.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -181.110324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.110324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.110324 (E_RNA)
where:
Base-Base interactions energy: -108.076
where: short stacking energy: -62.756
Base-Backbone interact. energy: -0.015
local terms energy: -73.019238
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -12.996
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: 7, replica: 1
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -95.535804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.535804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.535804 (E_RNA)
where:
Base-Base interactions energy: -41.995
where: short stacking energy: -27.850
Base-Backbone interact. energy: -0.242
local terms energy: -53.298879
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -3.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -82.137095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.137095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.137095 (E_RNA)
where:
Base-Base interactions energy: -35.451
where: short stacking energy: -21.758
Base-Backbone interact. energy: 1.571
local terms energy: -48.256567
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: 1.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -84.608886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.608886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.608886 (E_RNA)
where:
Base-Base interactions energy: -46.682
where: short stacking energy: -33.075
Base-Backbone interact. energy: -0.529
local terms energy: -37.397920
where:
bonds (distance) C4'-P energy: -7.090
bonds (distance) P-C4' energy: -10.172
flat angles C4'-P-C4' energy: -9.184
flat angles P-C4'-P energy: -5.812
tors. eta vs tors. theta energy: -5.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -85.046179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.046179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.046179 (E_RNA)
where:
Base-Base interactions energy: -30.557
where: short stacking energy: -30.557
Base-Backbone interact. energy: -0.008
local terms energy: -54.481613
where:
bonds (distance) C4'-P energy: -9.169
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -5.582
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: 8
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -223.510985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.510985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.510985 (E_RNA)
where:
Base-Base interactions energy: -144.489
where: short stacking energy: -60.586
Base-Backbone interact. energy: -0.020
local terms energy: -79.001729
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -22.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -220.478823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.478823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.478823 (E_RNA)
where:
Base-Base interactions energy: -149.482
where: short stacking energy: -59.392
Base-Backbone interact. energy: -0.256
local terms energy: -70.740694
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -11.604
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -12.093
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: 3, replica: 3
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -185.469240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.469240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.469240 (E_RNA)
where:
Base-Base interactions energy: -109.472
where: short stacking energy: -60.513
Base-Backbone interact. energy: -0.130
local terms energy: -75.867448
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -18.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -183.465424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.465424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.465424 (E_RNA)
where:
Base-Base interactions energy: -110.605
where: short stacking energy: -57.077
Base-Backbone interact. energy: 0.655
local terms energy: -73.515463
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -19.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -174.070906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.070906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.070906 (E_RNA)
where:
Base-Base interactions energy: -104.375
where: short stacking energy: -57.828
Base-Backbone interact. energy: -0.243
local terms energy: -69.452713
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -13.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -169.289557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.289557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.289557 (E_RNA)
where:
Base-Base interactions energy: -103.332
where: short stacking energy: -44.518
Base-Backbone interact. energy: 0.956
local terms energy: -66.913594
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -13.388
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -8.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -88.772660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.772660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.772660 (E_RNA)
where:
Base-Base interactions energy: -43.307
where: short stacking energy: -26.971
Base-Backbone interact. energy: -0.723
local terms energy: -44.742012
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -9.927
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: 0.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -99.932631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.932631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.932631 (E_RNA)
where:
Base-Base interactions energy: -34.693
where: short stacking energy: -34.693
Base-Backbone interact. energy: 0.323
local terms energy: -65.561794
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -11.031
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: 7
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -85.185703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.185703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.185703 (E_RNA)
where:
Base-Base interactions energy: -32.963
where: short stacking energy: -29.060
Base-Backbone interact. energy: -0.128
local terms energy: -52.094249
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -9.128
tors. eta vs tors. theta energy: -0.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -67.797111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.797111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.797111 (E_RNA)
where:
Base-Base interactions energy: -26.111
where: short stacking energy: -24.100
Base-Backbone interact. energy: -1.246
local terms energy: -40.439929
where:
bonds (distance) C4'-P energy: -11.482
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -10.417
flat angles P-C4'-P energy: -5.567
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: 1, replica: 8
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -221.826619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.826619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.826619 (E_RNA)
where:
Base-Base interactions energy: -147.696
where: short stacking energy: -70.417
Base-Backbone interact. energy: -0.035
local terms energy: -74.095474
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -11.756
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: 2
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -221.193585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.193585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.193585 (E_RNA)
where:
Base-Base interactions energy: -148.973
where: short stacking energy: -53.446
Base-Backbone interact. energy: -0.019
local terms energy: -72.202056
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -15.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -189.086802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.086802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.086802 (E_RNA)
where:
Base-Base interactions energy: -115.497
where: short stacking energy: -67.259
Base-Backbone interact. energy: -0.095
local terms energy: -73.494606
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: -14.355
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: 190
Temperature: 1.050000
Total energy: -176.988115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.988115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.988115 (E_RNA)
where:
Base-Base interactions energy: -104.846
where: short stacking energy: -52.315
Base-Backbone interact. energy: -0.158
local terms energy: -71.984245
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -14.917
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: 6
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -156.391164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.391164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.391164 (E_RNA)
where:
Base-Base interactions energy: -93.423
where: short stacking energy: -51.592
Base-Backbone interact. energy: -0.028
local terms energy: -62.939334
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -11.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -162.877345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.877345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.877345 (E_RNA)
where:
Base-Base interactions energy: -108.664
where: short stacking energy: -57.789
Base-Backbone interact. energy: -0.115
local terms energy: -54.098304
where:
bonds (distance) C4'-P energy: -8.713
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -8.554
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -12.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -85.778658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.778658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.778658 (E_RNA)
where:
Base-Base interactions energy: -31.756
where: short stacking energy: -29.266
Base-Backbone interact. energy: -0.081
local terms energy: -53.942117
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -10.098
flat angles P-C4'-P energy: -10.111
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: 8, replica: 1
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -91.905869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.905869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.905869 (E_RNA)
where:
Base-Base interactions energy: -44.086
where: short stacking energy: -40.198
Base-Backbone interact. energy: -0.155
local terms energy: -47.665305
where:
bonds (distance) C4'-P energy: -5.395
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -10.198
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -3.764
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: 4
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -86.730810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.730810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.730810 (E_RNA)
where:
Base-Base interactions energy: -32.170
where: short stacking energy: -28.868
Base-Backbone interact. energy: -0.040
local terms energy: -54.520546
where:
bonds (distance) C4'-P energy: -10.663
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -7.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -73.860512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.860512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.860512 (E_RNA)
where:
Base-Base interactions energy: -21.891
where: short stacking energy: -21.891
Base-Backbone interact. energy: -0.121
local terms energy: -51.848541
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -2.227
tors. eta vs tors. theta energy: -7.026
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: 8
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -221.095030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.095030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.095030 (E_RNA)
where:
Base-Base interactions energy: -145.262
where: short stacking energy: -66.601
Base-Backbone interact. energy: -0.011
local terms energy: -75.821495
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -17.903
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -17.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -221.413070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.413070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.413070 (E_RNA)
where:
Base-Base interactions energy: -142.323
where: short stacking energy: -71.857
Base-Backbone interact. energy: -0.536
local terms energy: -78.553844
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -20.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -183.097925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.097925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.097925 (E_RNA)
where:
Base-Base interactions energy: -114.647
where: short stacking energy: -62.009
Base-Backbone interact. energy: -0.111
local terms energy: -68.340090
where:
bonds (distance) C4'-P energy: -9.234
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -16.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -164.884434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.884434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.884434 (E_RNA)
where:
Base-Base interactions energy: -110.466
where: short stacking energy: -59.472
Base-Backbone interact. energy: -0.031
local terms energy: -54.387552
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -11.847
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -4.009
tors. eta vs tors. theta energy: -13.375
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: 6
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -168.249493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.249493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.249493 (E_RNA)
where:
Base-Base interactions energy: -99.940
where: short stacking energy: -41.145
Base-Backbone interact. energy: 1.874
local terms energy: -70.183705
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -12.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -153.469988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.469988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.469988 (E_RNA)
where:
Base-Base interactions energy: -97.840
where: short stacking energy: -48.475
Base-Backbone interact. energy: -0.135
local terms energy: -55.495894
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -7.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -147.117207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.117207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.117207 (E_RNA)
where:
Base-Base interactions energy: -91.090
where: short stacking energy: -39.892
Base-Backbone interact. energy: -0.237
local terms energy: -55.790199
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -12.234
flat angles C4'-P-C4' energy: -10.401
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -6.497
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: 8, replica: 4
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -95.170295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.170295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.170295 (E_RNA)
where:
Base-Base interactions energy: -41.412
where: short stacking energy: -27.650
Base-Backbone interact. energy: -1.309
local terms energy: -52.449945
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -9.731
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -0.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -114.425519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.425519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.425519 (E_RNA)
where:
Base-Base interactions energy: -68.540
where: short stacking energy: -26.038
Base-Backbone interact. energy: -0.209
local terms energy: -45.676567
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -11.617
flat angles C4'-P-C4' energy: -9.168
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -3.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -78.801670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.801670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.801670 (E_RNA)
where:
Base-Base interactions energy: -30.682
where: short stacking energy: -26.748
Base-Backbone interact. energy: -0.066
local terms energy: -48.053000
where:
bonds (distance) C4'-P energy: -10.375
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -4.506
tors. eta vs tors. theta energy: -5.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -229.196820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.196820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.196820 (E_RNA)
where:
Base-Base interactions energy: -146.723
where: short stacking energy: -75.538
Base-Backbone interact. energy: -0.173
local terms energy: -82.301461
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -21.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -215.396627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.396627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.396627 (E_RNA)
where:
Base-Base interactions energy: -141.899
where: short stacking energy: -70.180
Base-Backbone interact. energy: -1.052
local terms energy: -72.445749
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -14.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -181.757377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.757377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.757377 (E_RNA)
where:
Base-Base interactions energy: -113.056
where: short stacking energy: -59.444
Base-Backbone interact. energy: -0.012
local terms energy: -68.689635
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -9.186
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: 4, replica: 5
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -194.424078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.424078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.424078 (E_RNA)
where:
Base-Base interactions energy: -119.188
where: short stacking energy: -59.675
Base-Backbone interact. energy: -0.115
local terms energy: -75.121093
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: -22.537
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: 6
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -166.787872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.787872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.787872 (E_RNA)
where:
Base-Base interactions energy: -112.672
where: short stacking energy: -47.712
Base-Backbone interact. energy: -1.164
local terms energy: -52.951761
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -8.915
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -7.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -168.180990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.180990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.180990 (E_RNA)
where:
Base-Base interactions energy: -107.294
where: short stacking energy: -56.764
Base-Backbone interact. energy: -0.006
local terms energy: -60.881480
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -8.344
flat angles P-C4'-P energy: -10.030
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: 7, replica: 4
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -88.939287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.939287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.939287 (E_RNA)
where:
Base-Base interactions energy: -38.954
where: short stacking energy: -32.883
Base-Backbone interact. energy: -0.219
local terms energy: -49.765933
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -0.782
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: 192
Temperature: 1.250000
Total energy: -155.849480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.849480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.849480 (E_RNA)
where:
Base-Base interactions energy: -99.751
where: short stacking energy: -52.876
Base-Backbone interact. energy: -0.067
local terms energy: -56.031757
where:
bonds (distance) C4'-P energy: -9.851
bonds (distance) P-C4' energy: -10.057
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -13.035
tors. eta vs tors. theta energy: -10.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -116.653810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.653810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.653810 (E_RNA)
where:
Base-Base interactions energy: -73.981
where: short stacking energy: -44.385
Base-Backbone interact. energy: -0.105
local terms energy: -42.567896
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -8.832
flat angles P-C4'-P energy: 0.033
tors. eta vs tors. theta energy: -7.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -84.234264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.234264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.234264 (E_RNA)
where:
Base-Base interactions energy: -38.490
where: short stacking energy: -38.490
Base-Backbone interact. energy: -0.014
local terms energy: -45.730223
where:
bonds (distance) C4'-P energy: -10.388
bonds (distance) P-C4' energy: -10.472
flat angles C4'-P-C4' energy: -7.526
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -7.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -226.957240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.957240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.957240 (E_RNA)
where:
Base-Base interactions energy: -149.051
where: short stacking energy: -71.894
Base-Backbone interact. energy: -0.281
local terms energy: -77.624840
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -22.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -219.565310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.565310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.565310 (E_RNA)
where:
Base-Base interactions energy: -147.003
where: short stacking energy: -70.036
Base-Backbone interact. energy: -0.052
local terms energy: -72.510203
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -17.397
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -16.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -177.614688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.614688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.614688 (E_RNA)
where:
Base-Base interactions energy: -106.316
where: short stacking energy: -55.600
Base-Backbone interact. energy: -0.454
local terms energy: -70.844121
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -15.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -163.464565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.464565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.464565 (E_RNA)
where:
Base-Base interactions energy: -97.470
where: short stacking energy: -40.422
Base-Backbone interact. energy: -0.311
local terms energy: -65.682686
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -8.727
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: 5
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -188.235631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.235631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.235631 (E_RNA)
where:
Base-Base interactions energy: -116.652
where: short stacking energy: -65.428
Base-Backbone interact. energy: -0.663
local terms energy: -70.920289
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -17.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -171.093635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.093635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.093635 (E_RNA)
where:
Base-Base interactions energy: -106.105
where: short stacking energy: -48.713
Base-Backbone interact. energy: -0.107
local terms energy: -64.882245
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -14.608
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: 7, replica: 4
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -79.962378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.962378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.962378 (E_RNA)
where:
Base-Base interactions energy: -25.531
where: short stacking energy: -26.331
Base-Backbone interact. energy: -0.878
local terms energy: -53.552736
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -2.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -154.412295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.412295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.412295 (E_RNA)
where:
Base-Base interactions energy: -95.236
where: short stacking energy: -51.783
Base-Backbone interact. energy: -0.055
local terms energy: -59.121169
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -9.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -104.453502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.453502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.453502 (E_RNA)
where:
Base-Base interactions energy: -61.348
where: short stacking energy: -29.590
Base-Backbone interact. energy: -0.291
local terms energy: -42.813970
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -11.501
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: 4.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -72.436486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.436486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.436486 (E_RNA)
where:
Base-Base interactions energy: -25.503
where: short stacking energy: -25.503
Base-Backbone interact. energy: 0.649
local terms energy: -47.582174
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -10.385
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -7.773
tors. eta vs tors. theta energy: -0.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -223.817632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.817632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.817632 (E_RNA)
where:
Base-Base interactions energy: -148.221
where: short stacking energy: -64.041
Base-Backbone interact. energy: -2.122
local terms energy: -73.475034
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -21.132
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: 8
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -219.814542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.814542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.814542 (E_RNA)
where:
Base-Base interactions energy: -141.029
where: short stacking energy: -73.381
Base-Backbone interact. energy: -0.019
local terms energy: -78.766467
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -19.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -177.750479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.750479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.750479 (E_RNA)
where:
Base-Base interactions energy: -113.450
where: short stacking energy: -49.080
Base-Backbone interact. energy: -1.050
local terms energy: -63.250390
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -10.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -167.448545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.448545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.448545 (E_RNA)
where:
Base-Base interactions energy: -100.661
where: short stacking energy: -55.226
Base-Backbone interact. energy: -0.002
local terms energy: -66.785501
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -6.129
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: 5
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -173.338013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.338013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.338013 (E_RNA)
where:
Base-Base interactions energy: -105.979
where: short stacking energy: -61.631
Base-Backbone interact. energy: -0.002
local terms energy: -67.357032
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -9.563
flat angles C4'-P-C4' energy: -17.760
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -16.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -163.937918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.937918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.937918 (E_RNA)
where:
Base-Base interactions energy: -98.597
where: short stacking energy: -53.781
Base-Backbone interact. energy: -0.010
local terms energy: -65.330734
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -10.258
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: 7, replica: 10
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -142.601198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.601198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.601198 (E_RNA)
where:
Base-Base interactions energy: -82.914
where: short stacking energy: -40.292
Base-Backbone interact. energy: -0.602
local terms energy: -59.085587
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -11.889
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -8.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -74.723944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.723944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.723944 (E_RNA)
where:
Base-Base interactions energy: -27.070
where: short stacking energy: -27.070
Base-Backbone interact. energy: -0.178
local terms energy: -47.476047
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: 2.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -81.804722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.804722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.804722 (E_RNA)
where:
Base-Base interactions energy: -29.472
where: short stacking energy: -26.598
Base-Backbone interact. energy: -0.217
local terms energy: -52.115807
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -11.247
flat angles P-C4'-P energy: -9.385
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: 10, replica: 7
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -80.689702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.689702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.689702 (E_RNA)
where:
Base-Base interactions energy: -33.946
where: short stacking energy: -33.946
Base-Backbone interact. energy: -0.118
local terms energy: -46.625362
where:
bonds (distance) C4'-P energy: -4.973
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -4.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -221.754054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.754054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.754054 (E_RNA)
where:
Base-Base interactions energy: -146.316
where: short stacking energy: -73.575
Base-Backbone interact. energy: -1.156
local terms energy: -74.281882
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: -23.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -215.889325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.889325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.889325 (E_RNA)
where:
Base-Base interactions energy: -141.127
where: short stacking energy: -58.412
Base-Backbone interact. energy: -0.012
local terms energy: -74.750042
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -18.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -173.548766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.548766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.548766 (E_RNA)
where:
Base-Base interactions energy: -107.753
where: short stacking energy: -44.955
Base-Backbone interact. energy: -0.758
local terms energy: -65.038604
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -8.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -171.586284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.586284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.586284 (E_RNA)
where:
Base-Base interactions energy: -104.830
where: short stacking energy: -53.540
Base-Backbone interact. energy: -0.004
local terms energy: -66.751917
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -12.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -176.605420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.605420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.605420 (E_RNA)
where:
Base-Base interactions energy: -116.214
where: short stacking energy: -60.671
Base-Backbone interact. energy: -0.959
local terms energy: -59.432803
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -6.204
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -16.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -165.794654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.794654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.794654 (E_RNA)
where:
Base-Base interactions energy: -103.171
where: short stacking energy: -50.637
Base-Backbone interact. energy: 0.315
local terms energy: -62.938635
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -9.618
flat angles P-C4'-P energy: -9.806
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: 7, replica: 10
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -98.261982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.261982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.261982 (E_RNA)
where:
Base-Base interactions energy: -50.519
where: short stacking energy: -22.279
Base-Backbone interact. energy: -0.178
local terms energy: -47.564861
where:
bonds (distance) C4'-P energy: -8.658
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -3.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -86.851808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.851808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.851808 (E_RNA)
where:
Base-Base interactions energy: -36.360
where: short stacking energy: -36.827
Base-Backbone interact. energy: -0.347
local terms energy: -50.145369
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -9.196
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -4.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -92.412791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.412791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.412791 (E_RNA)
where:
Base-Base interactions energy: -34.667
where: short stacking energy: -35.867
Base-Backbone interact. energy: -0.188
local terms energy: -57.557593
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -8.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -73.714631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.714631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.714631 (E_RNA)
where:
Base-Base interactions energy: -22.098
where: short stacking energy: -22.098
Base-Backbone interact. energy: -0.095
local terms energy: -51.521495
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -2.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -218.148774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.148774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.148774 (E_RNA)
where:
Base-Base interactions energy: -147.216
where: short stacking energy: -57.537
Base-Backbone interact. energy: -1.813
local terms energy: -69.119473
where:
bonds (distance) C4'-P energy: -12.034
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -16.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -219.096365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.096365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.096365 (E_RNA)
where:
Base-Base interactions energy: -142.311
where: short stacking energy: -71.744
Base-Backbone interact. energy: -0.060
local terms energy: -76.724918
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -19.443
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: 196
Temperature: 1.000000
Total energy: -181.486511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.486511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.486511 (E_RNA)
where:
Base-Base interactions energy: -119.608
where: short stacking energy: -48.209
Base-Backbone interact. energy: -1.757
local terms energy: -60.121929
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -8.669
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: 3
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -160.991424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.991424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.991424 (E_RNA)
where:
Base-Base interactions energy: -98.246
where: short stacking energy: -52.014
Base-Backbone interact. energy: -0.029
local terms energy: -62.715962
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -9.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -170.596330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.596330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.596330 (E_RNA)
where:
Base-Base interactions energy: -104.354
where: short stacking energy: -51.881
Base-Backbone interact. energy: -1.400
local terms energy: -64.842256
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -7.893
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: 6, replica: 5
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -146.090202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.090202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.090202 (E_RNA)
where:
Base-Base interactions energy: -90.412
where: short stacking energy: -58.068
Base-Backbone interact. energy: -0.122
local terms energy: -55.556719
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -11.319
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -10.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -92.729006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.729006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.729006 (E_RNA)
where:
Base-Base interactions energy: -37.197
where: short stacking energy: -35.204
Base-Backbone interact. energy: 0.049
local terms energy: -55.581262
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -9.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -81.727286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.727286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.727286 (E_RNA)
where:
Base-Base interactions energy: -33.122
where: short stacking energy: -33.122
Base-Backbone interact. energy: -0.181
local terms energy: -48.424238
where:
bonds (distance) C4'-P energy: -10.104
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -5.384
tors. eta vs tors. theta energy: -3.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -93.831159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.831159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.831159 (E_RNA)
where:
Base-Base interactions energy: -46.719
where: short stacking energy: -45.159
Base-Backbone interact. energy: 0.237
local terms energy: -47.349035
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -9.887
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -5.337
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: 10, replica: 4
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -80.623834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.623834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.623834 (E_RNA)
where:
Base-Base interactions energy: -42.308
where: short stacking energy: -29.333
Base-Backbone interact. energy: 0.356
local terms energy: -38.671724
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -12.118
flat angles C4'-P-C4' energy: -5.080
flat angles P-C4'-P energy: -6.603
tors. eta vs tors. theta energy: -3.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -217.126445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.126445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.126445 (E_RNA)
where:
Base-Base interactions energy: -143.975
where: short stacking energy: -64.220
Base-Backbone interact. energy: -1.681
local terms energy: -71.470256
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -9.091
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -18.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -217.513135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.513135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.513135 (E_RNA)
where:
Base-Base interactions energy: -147.069
where: short stacking energy: -54.671
Base-Backbone interact. energy: -0.210
local terms energy: -70.234104
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -15.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -182.802819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.802819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.802819 (E_RNA)
where:
Base-Base interactions energy: -115.168
where: short stacking energy: -52.887
Base-Backbone interact. energy: -0.158
local terms energy: -67.476655
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -11.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -176.433028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.433028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.433028 (E_RNA)
where:
Base-Base interactions energy: -107.707
where: short stacking energy: -63.439
Base-Backbone interact. energy: -0.053
local terms energy: -68.672642
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -5.880
tors. eta vs tors. theta energy: -15.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -157.165812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.165812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.165812 (E_RNA)
where:
Base-Base interactions energy: -91.140
where: short stacking energy: -38.690
Base-Backbone interact. energy: -0.886
local terms energy: -65.139744
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -9.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -97.748435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.748435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.748435 (E_RNA)
where:
Base-Base interactions energy: -40.687
where: short stacking energy: -40.687
Base-Backbone interact. energy: -0.129
local terms energy: -56.932023
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -5.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -151.900238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.900238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.900238 (E_RNA)
where:
Base-Base interactions energy: -100.282
where: short stacking energy: -34.222
Base-Backbone interact. energy: -0.666
local terms energy: -50.952112
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -2.722
tors. eta vs tors. theta energy: -4.099
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: 7
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -78.307662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.307662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.307662 (E_RNA)
where:
Base-Base interactions energy: -30.039
where: short stacking energy: -22.422
Base-Backbone interact. energy: -1.355
local terms energy: -46.914119
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -12.851
flat angles C4'-P-C4' energy: -11.683
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: 1.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -89.962025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.962025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.962025 (E_RNA)
where:
Base-Base interactions energy: -32.776
where: short stacking energy: -24.692
Base-Backbone interact. energy: -0.349
local terms energy: -56.837702
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -10.981
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -4.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -80.039893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.039893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.039893 (E_RNA)
where:
Base-Base interactions energy: -29.231
where: short stacking energy: -27.038
Base-Backbone interact. energy: -0.260
local terms energy: -50.549072
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -4.099
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: 2
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -217.868675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.868675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.868675 (E_RNA)
where:
Base-Base interactions energy: -150.789
where: short stacking energy: -55.276
Base-Backbone interact. energy: 0.064
local terms energy: -67.143477
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -16.552
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -15.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -224.596001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.596001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.596001 (E_RNA)
where:
Base-Base interactions energy: -147.995
where: short stacking energy: -68.104
Base-Backbone interact. energy: -0.322
local terms energy: -76.278691
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -20.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -191.416680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.416680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.416680 (E_RNA)
where:
Base-Base interactions energy: -124.279
where: short stacking energy: -70.343
Base-Backbone interact. energy: -0.028
local terms energy: -67.110122
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -12.367
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -7.704
tors. eta vs tors. theta energy: -15.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -175.188178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.188178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.188178 (E_RNA)
where:
Base-Base interactions energy: -105.452
where: short stacking energy: -52.797
Base-Backbone interact. energy: -0.748
local terms energy: -68.988301
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -14.111
tors. eta vs tors. theta energy: -12.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -114.530285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.530285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.530285 (E_RNA)
where:
Base-Base interactions energy: -49.495
where: short stacking energy: -49.495
Base-Backbone interact. energy: -0.014
local terms energy: -65.021534
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -5.724
tors. eta vs tors. theta energy: -14.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -169.034837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.034837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.034837 (E_RNA)
where:
Base-Base interactions energy: -100.970
where: short stacking energy: -48.270
Base-Backbone interact. energy: -0.532
local terms energy: -67.531999
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -13.739
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -13.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -155.036009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.036009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.036009 (E_RNA)
where:
Base-Base interactions energy: -104.986
where: short stacking energy: -40.228
Base-Backbone interact. energy: -0.541
local terms energy: -49.509670
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -0.823
tors. eta vs tors. theta energy: -4.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -82.316992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.316992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.316992 (E_RNA)
where:
Base-Base interactions energy: -30.038
where: short stacking energy: -28.712
Base-Backbone interact. energy: 0.009
local terms energy: -52.287863
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -0.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -89.171788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.171788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.171788 (E_RNA)
where:
Base-Base interactions energy: -33.082
where: short stacking energy: -29.588
Base-Backbone interact. energy: -0.190
local terms energy: -55.899790
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -8.854
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: 198
Temperature: 1.350000
Total energy: -113.686906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.686906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.686906 (E_RNA)
where:
Base-Base interactions energy: -61.964
where: short stacking energy: -27.339
Base-Backbone interact. energy: 0.162
local terms energy: -51.884703
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -8.585
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -4.415
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: 1, replica: 2
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -227.360226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.360226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.360226 (E_RNA)
where:
Base-Base interactions energy: -152.409
where: short stacking energy: -60.852
Base-Backbone interact. energy: -0.007
local terms energy: -74.943854
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -16.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -216.166496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.166496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.166496 (E_RNA)
where:
Base-Base interactions energy: -144.275
where: short stacking energy: -60.205
Base-Backbone interact. energy: -0.977
local terms energy: -70.914597
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -19.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -194.666629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.666629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.666629 (E_RNA)
where:
Base-Base interactions energy: -118.553
where: short stacking energy: -72.364
Base-Backbone interact. energy: -0.017
local terms energy: -76.096843
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -19.484
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: 6
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -165.082380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.082380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.082380 (E_RNA)
where:
Base-Base interactions energy: -100.890
where: short stacking energy: -54.666
Base-Backbone interact. energy: 1.232
local terms energy: -65.424375
where:
bonds (distance) C4'-P energy: -10.885
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -14.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -111.493043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.493043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.493043 (E_RNA)
where:
Base-Base interactions energy: -49.207
where: short stacking energy: -49.207
Base-Backbone interact. energy: -0.816
local terms energy: -61.469979
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -6.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -160.934288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.934288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.934288 (E_RNA)
where:
Base-Base interactions energy: -102.338
where: short stacking energy: -45.950
Base-Backbone interact. energy: -0.240
local terms energy: -58.355667
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -11.297
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -11.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -124.106367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.106367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.106367 (E_RNA)
where:
Base-Base interactions energy: -68.269
where: short stacking energy: -42.595
Base-Backbone interact. energy: -0.908
local terms energy: -54.929592
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -4.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -103.294017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.294017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.294017 (E_RNA)
where:
Base-Base interactions energy: -57.997
where: short stacking energy: -24.893
Base-Backbone interact. energy: -0.245
local terms energy: -45.051321
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -9.542
flat angles C4'-P-C4' energy: -10.336
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: 2.661
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: 7
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -79.213748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.213748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.213748 (E_RNA)
where:
Base-Base interactions energy: -33.468
where: short stacking energy: -20.966
Base-Backbone interact. energy: 0.308
local terms energy: -46.054129
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -12.699
flat angles C4'-P-C4' energy: -8.531
flat angles P-C4'-P energy: -5.847
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: 10, replica: 10
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -73.697920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.697920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.697920 (E_RNA)
where:
Base-Base interactions energy: -24.588
where: short stacking energy: -22.095
Base-Backbone interact. energy: 1.680
local terms energy: -50.790543
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: 0.572
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: 1, replica: 2
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -226.700903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.700903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.700903 (E_RNA)
where:
Base-Base interactions energy: -147.320
where: short stacking energy: -67.053
Base-Backbone interact. energy: -1.173
local terms energy: -78.207409
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -20.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -207.988804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.988804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.988804 (E_RNA)
where:
Base-Base interactions energy: -142.728
where: short stacking energy: -64.450
Base-Backbone interact. energy: -0.677
local terms energy: -64.584270
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -15.590
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -5.249
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: 9
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -191.759710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.759710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.759710 (E_RNA)
where:
Base-Base interactions energy: -117.016
where: short stacking energy: -59.221
Base-Backbone interact. energy: -1.125
local terms energy: -73.618941
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -11.102
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: 4, replica: 6
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -174.871059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.871059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.871059 (E_RNA)
where:
Base-Base interactions energy: -100.737
where: short stacking energy: -58.410
Base-Backbone interact. energy: 0.073
local terms energy: -74.207453
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -9.849
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: 5, replica: 3
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -174.405108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.405108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.405108 (E_RNA)
where:
Base-Base interactions energy: -105.548
where: short stacking energy: -56.358
Base-Backbone interact. energy: -0.074
local terms energy: -68.783621
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -10.927
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: 6, replica: 1
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -98.153966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.153966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.153966 (E_RNA)
where:
Base-Base interactions energy: -43.082
where: short stacking energy: -39.805
Base-Backbone interact. energy: -0.127
local terms energy: -54.945102
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -3.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -123.014579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.014579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.014579 (E_RNA)
where:
Base-Base interactions energy: -69.416
where: short stacking energy: -39.787
Base-Backbone interact. energy: 1.365
local terms energy: -54.962972
where:
bonds (distance) C4'-P energy: -8.331
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -5.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -85.447757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.447757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.447757 (E_RNA)
where:
Base-Base interactions energy: -37.848
where: short stacking energy: -31.095
Base-Backbone interact. energy: 0.360
local terms energy: -47.959987
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -7.283
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -1.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -90.116579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.116579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.116579 (E_RNA)
where:
Base-Base interactions energy: -40.924
where: short stacking energy: -37.076
Base-Backbone interact. energy: -0.004
local terms energy: -49.188245
where:
bonds (distance) C4'-P energy: -9.044
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -11.890
flat angles P-C4'-P energy: -6.638
tors. eta vs tors. theta energy: -6.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -74.148955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.148955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.148955 (E_RNA)
where:
Base-Base interactions energy: -21.547
where: short stacking energy: -21.547
Base-Backbone interact. energy: -0.277
local terms energy: -52.325772
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: -3.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -225.557914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.557914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.557914 (E_RNA)
where:
Base-Base interactions energy: -147.242
where: short stacking energy: -75.938
Base-Backbone interact. energy: -0.691
local terms energy: -77.624730
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -22.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -211.901732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.901732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.901732 (E_RNA)
where:
Base-Base interactions energy: -141.761
where: short stacking energy: -54.062
Base-Backbone interact. energy: -0.055
local terms energy: -70.086357
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -10.681
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -16.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -174.395015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.395015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.395015 (E_RNA)
where:
Base-Base interactions energy: -103.903
where: short stacking energy: -55.471
Base-Backbone interact. energy: 0.551
local terms energy: -71.043109
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -17.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -185.865994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.865994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.865994 (E_RNA)
where:
Base-Base interactions energy: -122.577
where: short stacking energy: -60.979
Base-Backbone interact. energy: -0.059
local terms energy: -63.229508
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -10.704
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: 5, replica: 6
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -179.503286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.503286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.503286 (E_RNA)
where:
Base-Base interactions energy: -112.074
where: short stacking energy: -52.667
Base-Backbone interact. energy: -0.169
local terms energy: -67.260874
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -10.553
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -10.508
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: 6, replica: 5
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -111.078717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.078717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.078717 (E_RNA)
where:
Base-Base interactions energy: -44.522
where: short stacking energy: -44.522
Base-Backbone interact. energy: -0.134
local terms energy: -66.422833
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -7.435
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: 1
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -97.441695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.441695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.441695 (E_RNA)
where:
Base-Base interactions energy: -40.910
where: short stacking energy: -40.164
Base-Backbone interact. energy: 0.520
local terms energy: -57.051554
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -6.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -91.305019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.305019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.305019 (E_RNA)
where:
Base-Base interactions energy: -43.251
where: short stacking energy: -43.026
Base-Backbone interact. energy: -0.189
local terms energy: -47.864544
where:
bonds (distance) C4'-P energy: -8.535
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -6.477
flat angles P-C4'-P energy: -6.062
tors. eta vs tors. theta energy: -12.781
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: 4
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -86.235846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.235846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.235846 (E_RNA)
where:
Base-Base interactions energy: -42.305
where: short stacking energy: -30.114
Base-Backbone interact. energy: 0.316
local terms energy: -44.246168
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -10.436
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -0.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -75.849367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.849367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.849367 (E_RNA)
where:
Base-Base interactions energy: -28.640
where: short stacking energy: -28.640
Base-Backbone interact. energy: -0.279
local terms energy: -46.930390
where:
bonds (distance) C4'-P energy: -5.723
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -2.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -224.621098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.621098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.621098 (E_RNA)
where:
Base-Base interactions energy: -146.463
where: short stacking energy: -72.301
Base-Backbone interact. energy: -0.371
local terms energy: -77.787213
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -21.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -215.262046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.262046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.262046 (E_RNA)
where:
Base-Base interactions energy: -144.787
where: short stacking energy: -65.972
Base-Backbone interact. energy: 0.492
local terms energy: -70.966655
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -10.142
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -20.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -192.405220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.405220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.405220 (E_RNA)
where:
Base-Base interactions energy: -119.251
where: short stacking energy: -58.031
Base-Backbone interact. energy: -0.810
local terms energy: -72.344390
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -15.140
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -15.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -181.942075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.942075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.942075 (E_RNA)
where:
Base-Base interactions energy: -112.793
where: short stacking energy: -56.230
Base-Backbone interact. energy: -0.137
local terms energy: -69.012299
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -13.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -171.153571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.153571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.153571 (E_RNA)
where:
Base-Base interactions energy: -109.145
where: short stacking energy: -52.799
Base-Backbone interact. energy: -0.891
local terms energy: -61.117497
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -13.174
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -7.868
tors. eta vs tors. theta energy: -15.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -115.396178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.396178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.396178 (E_RNA)
where:
Base-Base interactions energy: -52.596
where: short stacking energy: -38.358
Base-Backbone interact. energy: -0.310
local terms energy: -62.489991
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: -9.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -93.457186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.457186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.457186 (E_RNA)
where:
Base-Base interactions energy: -41.338
where: short stacking energy: -29.770
Base-Backbone interact. energy: -0.747
local terms energy: -51.372447
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -6.852
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -3.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -91.715984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.715984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.715984 (E_RNA)
where:
Base-Base interactions energy: -35.557
where: short stacking energy: -25.691
Base-Backbone interact. energy: -0.230
local terms energy: -55.929117
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -1.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -111.549451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.549451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.549451 (E_RNA)
where:
Base-Base interactions energy: -51.665
where: short stacking energy: -34.864
Base-Backbone interact. energy: -0.135
local terms energy: -59.749084
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -10.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -83.845839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.845839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.845839 (E_RNA)
where:
Base-Base interactions energy: -30.503
where: short stacking energy: -27.252
Base-Backbone interact. energy: -0.156
local terms energy: -53.187003
where:
bonds (distance) C4'-P energy: -12.817
bonds (distance) P-C4' energy: -10.384
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -5.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -225.457937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.457937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.457937 (E_RNA)
where:
Base-Base interactions energy: -144.896
where: short stacking energy: -76.669
Base-Backbone interact. energy: -0.003
local terms energy: -80.559395
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -19.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -216.226827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.226827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.226827 (E_RNA)
where:
Base-Base interactions energy: -142.529
where: short stacking energy: -63.869
Base-Backbone interact. energy: -1.370
local terms energy: -72.328420
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -10.832
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -21.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -190.513644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.513644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.513644 (E_RNA)
where:
Base-Base interactions energy: -129.161
where: short stacking energy: -58.243
Base-Backbone interact. energy: 1.072
local terms energy: -62.423856
where:
bonds (distance) C4'-P energy: -12.018
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -10.252
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: 4, replica: 9
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -190.627975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.627975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.627975 (E_RNA)
where:
Base-Base interactions energy: -121.883
where: short stacking energy: -59.993
Base-Backbone interact. energy: -0.027
local terms energy: -68.718114
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -16.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -165.838410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.838410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.838410 (E_RNA)
where:
Base-Base interactions energy: -102.150
where: short stacking energy: -58.097
Base-Backbone interact. energy: -0.009
local terms energy: -63.679430
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -13.926
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: 6, replica: 7
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -119.360757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.360757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.360757 (E_RNA)
where:
Base-Base interactions energy: -71.886
where: short stacking energy: -29.723
Base-Backbone interact. energy: -0.198
local terms energy: -47.276657
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -4.067
tors. eta vs tors. theta energy: 0.214
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: 203
Temperature: 1.200000
Total energy: -105.006986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.006986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.006986 (E_RNA)
where:
Base-Base interactions energy: -55.342
where: short stacking energy: -29.953
Base-Backbone interact. energy: -0.144
local terms energy: -49.521054
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -8.509
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -3.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -88.019812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.019812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.019812 (E_RNA)
where:
Base-Base interactions energy: -32.857
where: short stacking energy: -32.857
Base-Backbone interact. energy: -0.020
local terms energy: -55.142565
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -17.014
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -4.091
tors. eta vs tors. theta energy: -7.471
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: 9, replica: 1
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -86.226912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.226912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.226912 (E_RNA)
where:
Base-Base interactions energy: -27.383
where: short stacking energy: -25.244
Base-Backbone interact. energy: -0.276
local terms energy: -58.567706
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -10.947
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -4.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -83.323202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.323202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.323202 (E_RNA)
where:
Base-Base interactions energy: -33.915
where: short stacking energy: -34.315
Base-Backbone interact. energy: -0.059
local terms energy: -49.349115
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: -1.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -221.843961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.843961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.843961 (E_RNA)
where:
Base-Base interactions energy: -142.774
where: short stacking energy: -69.077
Base-Backbone interact. energy: -0.028
local terms energy: -79.042223
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -19.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -227.002127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.002127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.002127 (E_RNA)
where:
Base-Base interactions energy: -154.295
where: short stacking energy: -70.886
Base-Backbone interact. energy: -0.149
local terms energy: -72.558310
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -17.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -185.301719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.301719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.301719 (E_RNA)
where:
Base-Base interactions energy: -115.296
where: short stacking energy: -56.427
Base-Backbone interact. energy: -0.909
local terms energy: -69.096573
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -13.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -166.570036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.570036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.570036 (E_RNA)
where:
Base-Base interactions energy: -104.483
where: short stacking energy: -46.359
Base-Backbone interact. energy: -0.348
local terms energy: -61.739260
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -5.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -154.921423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.921423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.921423 (E_RNA)
where:
Base-Base interactions energy: -95.342
where: short stacking energy: -51.696
Base-Backbone interact. energy: -0.127
local terms energy: -59.451943
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -8.332
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -12.540
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: 7
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -135.853253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.853253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.853253 (E_RNA)
where:
Base-Base interactions energy: -81.565
where: short stacking energy: -31.369
Base-Backbone interact. energy: -0.340
local terms energy: -53.948148
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -14.264
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -2.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -130.050337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.050337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.050337 (E_RNA)
where:
Base-Base interactions energy: -75.910
where: short stacking energy: -43.330
Base-Backbone interact. energy: -0.268
local terms energy: -53.872238
where:
bonds (distance) C4'-P energy: -9.961
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -5.813
tors. eta vs tors. theta energy: -8.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -95.015857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.015857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.015857 (E_RNA)
where:
Base-Base interactions energy: -38.372
where: short stacking energy: -38.372
Base-Backbone interact. energy: 0.138
local terms energy: -56.781701
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -5.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -77.926942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.926942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.926942 (E_RNA)
where:
Base-Base interactions energy: -37.602
where: short stacking energy: -22.355
Base-Backbone interact. energy: -0.178
local terms energy: -40.147558
where:
bonds (distance) C4'-P energy: -8.384
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -4.629
tors. eta vs tors. theta energy: -1.442
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: 1
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -80.344469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.344469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.344469 (E_RNA)
where:
Base-Base interactions energy: -24.347
where: short stacking energy: -20.220
Base-Backbone interact. energy: -0.208
local terms energy: -55.790321
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -2.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -224.796140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.796140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.796140 (E_RNA)
where:
Base-Base interactions energy: -146.287
where: short stacking energy: -75.579
Base-Backbone interact. energy: -0.039
local terms energy: -78.470119
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -21.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -214.304255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.304255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.304255 (E_RNA)
where:
Base-Base interactions energy: -143.751
where: short stacking energy: -67.082
Base-Backbone interact. energy: -0.064
local terms energy: -70.489711
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -16.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -188.021190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.021190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.021190 (E_RNA)
where:
Base-Base interactions energy: -118.386
where: short stacking energy: -55.490
Base-Backbone interact. energy: -0.469
local terms energy: -69.166245
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -11.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -195.981640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.981640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.981640 (E_RNA)
where:
Base-Base interactions energy: -121.578
where: short stacking energy: -61.194
Base-Backbone interact. energy: -0.078
local terms energy: -74.325910
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -15.420
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: 5, replica: 9
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -155.227995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.227995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.227995 (E_RNA)
where:
Base-Base interactions energy: -95.715
where: short stacking energy: -49.176
Base-Backbone interact. energy: -1.364
local terms energy: -58.149615
where:
bonds (distance) C4'-P energy: -9.478
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -8.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -141.622549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.622549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.622549 (E_RNA)
where:
Base-Base interactions energy: -90.936
where: short stacking energy: -44.296
Base-Backbone interact. energy: -0.620
local terms energy: -50.066885
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -10.878
flat angles P-C4'-P energy: -5.376
tors. eta vs tors. theta energy: -5.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -155.277637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.277637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.277637 (E_RNA)
where:
Base-Base interactions energy: -93.159
where: short stacking energy: -53.212
Base-Backbone interact. energy: -0.028
local terms energy: -62.090560
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -12.674
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -7.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -80.464022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.464022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.464022 (E_RNA)
where:
Base-Base interactions energy: -25.841
where: short stacking energy: -25.841
Base-Backbone interact. energy: -0.658
local terms energy: -53.964732
where:
bonds (distance) C4'-P energy: -17.459
bonds (distance) P-C4' energy: -10.825
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -2.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -82.379657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.379657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.379657 (E_RNA)
where:
Base-Base interactions energy: -29.942
where: short stacking energy: -31.342
Base-Backbone interact. energy: -0.032
local terms energy: -52.405698
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -2.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -85.219910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.219910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.219910 (E_RNA)
where:
Base-Base interactions energy: -35.702
where: short stacking energy: -32.730
Base-Backbone interact. energy: 0.289
local terms energy: -49.807431
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -9.134
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -2.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -221.572128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.572128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.572128 (E_RNA)
where:
Base-Base interactions energy: -151.774
where: short stacking energy: -59.267
Base-Backbone interact. energy: -0.117
local terms energy: -69.681228
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -8.277
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: 2, replica: 8
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -211.680116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.680116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.680116 (E_RNA)
where:
Base-Base interactions energy: -142.486
where: short stacking energy: -59.948
Base-Backbone interact. energy: -0.004
local terms energy: -69.190402
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -9.743
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: 6
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -177.471064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.471064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.471064 (E_RNA)
where:
Base-Base interactions energy: -109.552
where: short stacking energy: -58.451
Base-Backbone interact. energy: -0.281
local terms energy: -67.638985
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -10.611
flat angles P-C4'-P energy: -11.486
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: 4, replica: 3
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -185.798537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.798537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.798537 (E_RNA)
where:
Base-Base interactions energy: -111.376
where: short stacking energy: -48.924
Base-Backbone interact. energy: -0.246
local terms energy: -74.176822
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: -17.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -167.622016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.622016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.622016 (E_RNA)
where:
Base-Base interactions energy: -107.780
where: short stacking energy: -53.775
Base-Backbone interact. energy: -0.293
local terms energy: -59.549147
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -3.835
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: 6, replica: 9
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -154.374023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.374023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.374023 (E_RNA)
where:
Base-Base interactions energy: -87.654
where: short stacking energy: -47.648
Base-Backbone interact. energy: -0.517
local terms energy: -66.203815
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -12.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -161.043852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.043852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.043852 (E_RNA)
where:
Base-Base interactions energy: -103.339
where: short stacking energy: -55.636
Base-Backbone interact. energy: -0.435
local terms energy: -57.269523
where:
bonds (distance) C4'-P energy: -8.530
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -10.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -85.778671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.778671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.778671 (E_RNA)
where:
Base-Base interactions energy: -28.827
where: short stacking energy: -20.178
Base-Backbone interact. energy: 0.224
local terms energy: -57.175037
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -1.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -88.314051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.314051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.314051 (E_RNA)
where:
Base-Base interactions energy: -38.640
where: short stacking energy: -32.061
Base-Backbone interact. energy: -0.011
local terms energy: -49.663086
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -10.191
flat angles P-C4'-P energy: -5.145
tors. eta vs tors. theta energy: -2.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -84.843073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.843073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.843073 (E_RNA)
where:
Base-Base interactions energy: -31.330
where: short stacking energy: -30.461
Base-Backbone interact. energy: -0.084
local terms energy: -53.429088
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -9.394
flat angles P-C4'-P energy: -6.948
tors. eta vs tors. theta energy: -10.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -232.233755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.233755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.233755 (E_RNA)
where:
Base-Base interactions energy: -150.684
where: short stacking energy: -78.902
Base-Backbone interact. energy: -0.001
local terms energy: -81.548236
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -21.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -222.149818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.149818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.149818 (E_RNA)
where:
Base-Base interactions energy: -145.197
where: short stacking energy: -72.401
Base-Backbone interact. energy: -0.237
local terms energy: -76.715718
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: -20.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -190.326493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.326493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.326493 (E_RNA)
where:
Base-Base interactions energy: -119.474
where: short stacking energy: -67.515
Base-Backbone interact. energy: -0.002
local terms energy: -70.850901
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -9.702
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: 4, replica: 5
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -163.620001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.620001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.620001 (E_RNA)
where:
Base-Base interactions energy: -93.933
where: short stacking energy: -54.048
Base-Backbone interact. energy: -0.060
local terms energy: -69.626866
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -15.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -158.219763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.219763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.219763 (E_RNA)
where:
Base-Base interactions energy: -100.500
where: short stacking energy: -39.648
Base-Backbone interact. energy: -0.021
local terms energy: -57.698072
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -8.935
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -8.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -161.695722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.695722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.695722 (E_RNA)
where:
Base-Base interactions energy: -109.218
where: short stacking energy: -62.429
Base-Backbone interact. energy: -0.032
local terms energy: -52.446099
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -7.644
flat angles P-C4'-P energy: -7.254
tors. eta vs tors. theta energy: -13.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -161.907365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.907365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.907365 (E_RNA)
where:
Base-Base interactions energy: -105.369
where: short stacking energy: -45.883
Base-Backbone interact. energy: -0.273
local terms energy: -56.265464
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -10.897
flat angles C4'-P-C4' energy: -14.009
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -11.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -87.554752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.554752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.554752 (E_RNA)
where:
Base-Base interactions energy: -34.566
where: short stacking energy: -32.533
Base-Backbone interact. energy: -0.046
local terms energy: -52.942175
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -0.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -74.209621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.209621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.209621 (E_RNA)
where:
Base-Base interactions energy: -17.720
where: short stacking energy: -17.720
Base-Backbone interact. energy: -0.002
local terms energy: -56.487434
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: -6.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -77.208702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.208702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.208702 (E_RNA)
where:
Base-Base interactions energy: -26.696
where: short stacking energy: -25.893
Base-Backbone interact. energy: -0.070
local terms energy: -50.442440
where:
bonds (distance) C4'-P energy: -11.845
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -3.354
tors. eta vs tors. theta energy: -4.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -224.259281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.259281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.259281 (E_RNA)
where:
Base-Base interactions energy: -144.815
where: short stacking energy: -69.356
Base-Backbone interact. energy: -0.143
local terms energy: -79.301165
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -20.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -214.341808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.341808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.341808 (E_RNA)
where:
Base-Base interactions energy: -138.762
where: short stacking energy: -55.880
Base-Backbone interact. energy: -2.093
local terms energy: -73.486072
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -11.392
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: 6
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -192.329914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.329914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.329914 (E_RNA)
where:
Base-Base interactions energy: -123.196
where: short stacking energy: -65.147
Base-Backbone interact. energy: -0.031
local terms energy: -69.102391
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -18.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -162.760345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.760345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.760345 (E_RNA)
where:
Base-Base interactions energy: -105.050
where: short stacking energy: -38.786
Base-Backbone interact. energy: -0.294
local terms energy: -57.415866
where:
bonds (distance) C4'-P energy: -10.034
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -6.086
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: 5, replica: 7
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -163.130767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.130767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.130767 (E_RNA)
where:
Base-Base interactions energy: -99.194
where: short stacking energy: -51.951
Base-Backbone interact. energy: -0.456
local terms energy: -63.480837
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -11.914
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -11.712
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: 3
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -159.695918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.695918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.695918 (E_RNA)
where:
Base-Base interactions energy: -90.075
where: short stacking energy: -46.313
Base-Backbone interact. energy: -0.502
local terms energy: -69.119410
where:
bonds (distance) C4'-P energy: -13.409
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -11.112
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: 7, replica: 9
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -157.919449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.919449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.919449 (E_RNA)
where:
Base-Base interactions energy: -96.876
where: short stacking energy: -40.517
Base-Backbone interact. energy: -0.867
local terms energy: -60.176885
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -8.179
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -12.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -84.149609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.149609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.149609 (E_RNA)
where:
Base-Base interactions energy: -29.653
where: short stacking energy: -29.653
Base-Backbone interact. energy: -0.271
local terms energy: -54.225899
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -5.603
tors. eta vs tors. theta energy: -5.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -90.269393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.269393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.269393 (E_RNA)
where:
Base-Base interactions energy: -39.019
where: short stacking energy: -28.309
Base-Backbone interact. energy: 0.611
local terms energy: -51.861783
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -10.014
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -1.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -89.387578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.387578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.387578 (E_RNA)
where:
Base-Base interactions energy: -42.343
where: short stacking energy: -34.595
Base-Backbone interact. energy: -0.099
local terms energy: -46.945881
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -11.692
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -2.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -219.199428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.199428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.199428 (E_RNA)
where:
Base-Base interactions energy: -140.822
where: short stacking energy: -68.946
Base-Backbone interact. energy: -0.027
local terms energy: -78.350470
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -16.877
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -17.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -209.593778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.593778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.593778 (E_RNA)
where:
Base-Base interactions energy: -132.262
where: short stacking energy: -60.179
Base-Backbone interact. energy: -0.269
local terms energy: -77.062751
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -13.784
tors. eta vs tors. theta energy: -21.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -171.133799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.133799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.133799 (E_RNA)
where:
Base-Base interactions energy: -110.809
where: short stacking energy: -47.685
Base-Backbone interact. energy: -0.274
local terms energy: -60.049923
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -6.411
tors. eta vs tors. theta energy: -10.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -180.991968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.991968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.991968 (E_RNA)
where:
Base-Base interactions energy: -115.844
where: short stacking energy: -47.500
Base-Backbone interact. energy: -0.747
local terms energy: -64.400660
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -5.043
tors. eta vs tors. theta energy: -12.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -146.315825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.315825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.315825 (E_RNA)
where:
Base-Base interactions energy: -82.905
where: short stacking energy: -34.119
Base-Backbone interact. energy: 1.351
local terms energy: -64.761888
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -11.908
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: 6, replica: 3
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -152.899356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.899356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.899356 (E_RNA)
where:
Base-Base interactions energy: -88.827
where: short stacking energy: -49.383
Base-Backbone interact. energy: -0.821
local terms energy: -63.251180
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -8.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -145.151825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.151825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.151825 (E_RNA)
where:
Base-Base interactions energy: -86.197
where: short stacking energy: -37.014
Base-Backbone interact. energy: 0.866
local terms energy: -59.821251
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -9.506
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: 209
Temperature: 1.250000
Total energy: -85.972834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.972834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.972834 (E_RNA)
where:
Base-Base interactions energy: -34.477
where: short stacking energy: -30.980
Base-Backbone interact. energy: -0.572
local terms energy: -50.923560
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -11.589
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -3.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -79.286133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.286133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.286133 (E_RNA)
where:
Base-Base interactions energy: -23.712
where: short stacking energy: -22.454
Base-Backbone interact. energy: -0.041
local terms energy: -55.533704
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -5.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -77.202090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.202090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.202090 (E_RNA)
where:
Base-Base interactions energy: -26.421
where: short stacking energy: -15.249
Base-Backbone interact. energy: -0.188
local terms energy: -50.593238
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: -0.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -220.689886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.689886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.689886 (E_RNA)
where:
Base-Base interactions energy: -145.343
where: short stacking energy: -67.836
Base-Backbone interact. energy: -0.311
local terms energy: -75.035869
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -19.433
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: 8
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -219.862253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.862253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.862253 (E_RNA)
where:
Base-Base interactions energy: -142.082
where: short stacking energy: -71.139
Base-Backbone interact. energy: -0.461
local terms energy: -77.319247
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -20.886
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: 5
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -183.918485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.918485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.918485 (E_RNA)
where:
Base-Base interactions energy: -127.130
where: short stacking energy: -48.139
Base-Backbone interact. energy: -0.026
local terms energy: -56.761909
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -7.419
flat angles P-C4'-P energy: -7.009
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: 6
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -187.548024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.548024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.548024 (E_RNA)
where:
Base-Base interactions energy: -116.246
where: short stacking energy: -63.909
Base-Backbone interact. energy: -0.472
local terms energy: -70.829698
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -14.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -151.727653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.727653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.727653 (E_RNA)
where:
Base-Base interactions energy: -83.095
where: short stacking energy: -41.333
Base-Backbone interact. energy: -0.461
local terms energy: -68.171218
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -7.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -149.420607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.420607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.420607 (E_RNA)
where:
Base-Base interactions energy: -88.749
where: short stacking energy: -48.492
Base-Backbone interact. energy: -0.198
local terms energy: -60.473151
where:
bonds (distance) C4'-P energy: -9.176
bonds (distance) P-C4' energy: -9.970
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -14.312
tors. eta vs tors. theta energy: -14.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -162.620000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.620000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.620000 (E_RNA)
where:
Base-Base interactions energy: -97.149
where: short stacking energy: -44.131
Base-Backbone interact. energy: -0.940
local terms energy: -64.530734
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -10.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -97.503257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.503257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.503257 (E_RNA)
where:
Base-Base interactions energy: -37.663
where: short stacking energy: -37.663
Base-Backbone interact. energy: -0.001
local terms energy: -59.838804
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -12.448
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -11.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -80.147253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.147253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.147253 (E_RNA)
where:
Base-Base interactions energy: -30.520
where: short stacking energy: -30.520
Base-Backbone interact. energy: -0.085
local terms energy: -49.542227
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -10.565
flat angles P-C4'-P energy: -5.826
tors. eta vs tors. theta energy: -4.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -83.774613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.774613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.774613 (E_RNA)
where:
Base-Base interactions energy: -36.427
where: short stacking energy: -31.832
Base-Backbone interact. energy: -0.163
local terms energy: -47.184259
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -12.713
flat angles C4'-P-C4' energy: -11.430
flat angles P-C4'-P energy: -6.243
tors. eta vs tors. theta energy: -4.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -224.431435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.431435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.431435 (E_RNA)
where:
Base-Base interactions energy: -139.344
where: short stacking energy: -61.564
Base-Backbone interact. energy: -2.306
local terms energy: -82.781909
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: -21.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -212.478650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.478650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.478650 (E_RNA)
where:
Base-Base interactions energy: -140.056
where: short stacking energy: -55.729
Base-Backbone interact. energy: -1.087
local terms energy: -71.335456
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -12.308
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -11.047
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: 3, replica: 5
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -186.884572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.884572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.884572 (E_RNA)
where:
Base-Base interactions energy: -116.414
where: short stacking energy: -61.900
Base-Backbone interact. energy: 0.774
local terms energy: -71.244145
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -18.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -178.786485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.786485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.786485 (E_RNA)
where:
Base-Base interactions energy: -104.663
where: short stacking energy: -59.597
Base-Backbone interact. energy: -0.002
local terms energy: -74.121871
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -14.156
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: 5, replica: 6
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -171.448812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.448812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.448812 (E_RNA)
where:
Base-Base interactions energy: -101.852
where: short stacking energy: -55.666
Base-Backbone interact. energy: -1.518
local terms energy: -68.079030
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -15.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -146.699169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.699169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.699169 (E_RNA)
where:
Base-Base interactions energy: -77.516
where: short stacking energy: -41.910
Base-Backbone interact. energy: -0.081
local terms energy: -69.103047
where:
bonds (distance) C4'-P energy: -13.794
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -12.639
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: 7, replica: 9
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -153.941401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.941401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.941401 (E_RNA)
where:
Base-Base interactions energy: -94.960
where: short stacking energy: -48.701
Base-Backbone interact. energy: -0.168
local terms energy: -58.813482
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -10.734
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -6.481
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: 10
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -91.501174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.501174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.501174 (E_RNA)
where:
Base-Base interactions energy: -42.526
where: short stacking energy: -32.686
Base-Backbone interact. energy: -0.752
local terms energy: -48.223888
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -11.153
flat angles P-C4'-P energy: -4.058
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -86.965405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.965405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.965405 (E_RNA)
where:
Base-Base interactions energy: -29.174
where: short stacking energy: -27.550
Base-Backbone interact. energy: -0.226
local terms energy: -57.565923
where:
bonds (distance) C4'-P energy: -11.242
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -6.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -79.179788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.179788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.179788 (E_RNA)
where:
Base-Base interactions energy: -32.789
where: short stacking energy: -23.380
Base-Backbone interact. energy: -0.537
local terms energy: -45.854127
where:
bonds (distance) C4'-P energy: -2.429
bonds (distance) P-C4' energy: -15.823
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -5.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -221.584773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.584773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.584773 (E_RNA)
where:
Base-Base interactions energy: -137.479
where: short stacking energy: -66.156
Base-Backbone interact. energy: -0.768
local terms energy: -83.337683
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -14.339
tors. eta vs tors. theta energy: -22.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -215.135701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.135701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.135701 (E_RNA)
where:
Base-Base interactions energy: -146.806
where: short stacking energy: -54.324
Base-Backbone interact. energy: -1.143
local terms energy: -67.186945
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -10.584
flat angles P-C4'-P energy: -10.912
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: 3, replica: 3
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -190.919741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.919741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.919741 (E_RNA)
where:
Base-Base interactions energy: -123.033
where: short stacking energy: -62.488
Base-Backbone interact. energy: -0.008
local terms energy: -67.878795
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -16.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -197.212226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.212226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.212226 (E_RNA)
where:
Base-Base interactions energy: -127.026
where: short stacking energy: -66.698
Base-Backbone interact. energy: -0.029
local terms energy: -70.157394
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -18.217
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: 5, replica: 6
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -172.290167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.290167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.290167 (E_RNA)
where:
Base-Base interactions energy: -110.337
where: short stacking energy: -52.779
Base-Backbone interact. energy: -1.959
local terms energy: -59.993438
where:
bonds (distance) C4'-P energy: -8.810
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: -16.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -152.886952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.886952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.886952 (E_RNA)
where:
Base-Base interactions energy: -87.636
where: short stacking energy: -52.444
Base-Backbone interact. energy: -0.272
local terms energy: -64.979401
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -12.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -151.713548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.713548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.713548 (E_RNA)
where:
Base-Base interactions energy: -102.390
where: short stacking energy: -44.603
Base-Backbone interact. energy: -0.158
local terms energy: -49.165039
where:
bonds (distance) C4'-P energy: -8.501
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -5.478
tors. eta vs tors. theta energy: -8.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -94.142790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.142790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.142790 (E_RNA)
where:
Base-Base interactions energy: -42.705
where: short stacking energy: -42.705
Base-Backbone interact. energy: -0.015
local terms energy: -51.423087
where:
bonds (distance) C4'-P energy: -10.081
bonds (distance) P-C4' energy: -12.139
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -5.922
tors. eta vs tors. theta energy: -9.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -89.451969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.451969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.451969 (E_RNA)
where:
Base-Base interactions energy: -38.033
where: short stacking energy: -38.033
Base-Backbone interact. energy: 0.486
local terms energy: -51.904495
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -6.728
tors. eta vs tors. theta energy: -5.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -76.716372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.716372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.716372 (E_RNA)
where:
Base-Base interactions energy: -28.212
where: short stacking energy: -26.001
Base-Backbone interact. energy: -0.172
local terms energy: -48.332133
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -11.092
flat angles P-C4'-P energy: -5.935
tors. eta vs tors. theta energy: -3.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -225.924402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.924402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.924402 (E_RNA)
where:
Base-Base interactions energy: -146.097
where: short stacking energy: -71.832
Base-Backbone interact. energy: -0.584
local terms energy: -79.243085
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -23.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -227.463318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.463318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.463318 (E_RNA)
where:
Base-Base interactions energy: -146.952
where: short stacking energy: -73.167
Base-Backbone interact. energy: -0.000
local terms energy: -80.510708
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -20.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -191.029187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.029187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.029187 (E_RNA)
where:
Base-Base interactions energy: -117.566
where: short stacking energy: -53.877
Base-Backbone interact. energy: 0.339
local terms energy: -73.802340
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -14.456
tors. eta vs tors. theta energy: -18.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -169.033105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.033105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.033105 (E_RNA)
where:
Base-Base interactions energy: -108.257
where: short stacking energy: -60.082
Base-Backbone interact. energy: -0.243
local terms energy: -60.532969
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -3.347
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: 5, replica: 5
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -179.718439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.718439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.718439 (E_RNA)
where:
Base-Base interactions energy: -108.100
where: short stacking energy: -58.635
Base-Backbone interact. energy: -0.003
local terms energy: -71.615265
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -11.197
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: 6, replica: 9
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -149.136884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.136884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.136884 (E_RNA)
where:
Base-Base interactions energy: -89.574
where: short stacking energy: -43.548
Base-Backbone interact. energy: 0.153
local terms energy: -59.716580
where:
bonds (distance) C4'-P energy: -17.154
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -3.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -130.810908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.810908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.810908 (E_RNA)
where:
Base-Base interactions energy: -73.076
where: short stacking energy: -33.533
Base-Backbone interact. energy: -0.573
local terms energy: -57.161948
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -2.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -97.471634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.471634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.471634 (E_RNA)
where:
Base-Base interactions energy: -39.960
where: short stacking energy: -39.960
Base-Backbone interact. energy: -0.166
local terms energy: -57.345667
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -6.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -93.433730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.433730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.433730 (E_RNA)
where:
Base-Base interactions energy: -35.480
where: short stacking energy: -35.480
Base-Backbone interact. energy: 0.266
local terms energy: -58.220106
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -10.509
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -7.976
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: 10, replica: 4
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -76.572616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.572616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.572616 (E_RNA)
where:
Base-Base interactions energy: -27.363
where: short stacking energy: -15.337
Base-Backbone interact. energy: 1.256
local terms energy: -50.465461
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -10.713
flat angles P-C4'-P energy: -5.508
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: 8
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -227.479041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.479041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.479041 (E_RNA)
where:
Base-Base interactions energy: -152.840
where: short stacking energy: -76.625
Base-Backbone interact. energy: -0.028
local terms energy: -74.611195
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -19.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -221.115772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.115772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.115772 (E_RNA)
where:
Base-Base interactions energy: -149.571
where: short stacking energy: -61.509
Base-Backbone interact. energy: -0.515
local terms energy: -71.029810
where:
bonds (distance) C4'-P energy: -16.660
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -17.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -189.857679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.857679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.857679 (E_RNA)
where:
Base-Base interactions energy: -124.306
where: short stacking energy: -57.871
Base-Backbone interact. energy: -0.180
local terms energy: -65.371309
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -10.422
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -18.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -186.883554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.883554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.883554 (E_RNA)
where:
Base-Base interactions energy: -113.740
where: short stacking energy: -59.244
Base-Backbone interact. energy: -0.055
local terms energy: -73.087629
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -17.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -172.715361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.715361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.715361 (E_RNA)
where:
Base-Base interactions energy: -111.775
where: short stacking energy: -55.975
Base-Backbone interact. energy: -0.140
local terms energy: -60.800665
where:
bonds (distance) C4'-P energy: -9.997
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -14.550
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: 9
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -149.305661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.305661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.305661 (E_RNA)
where:
Base-Base interactions energy: -95.614
where: short stacking energy: -50.905
Base-Backbone interact. energy: -0.183
local terms energy: -53.508999
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -16.162
flat angles C4'-P-C4' energy: -9.522
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -6.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -134.636470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.636470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.636470 (E_RNA)
where:
Base-Base interactions energy: -80.157
where: short stacking energy: -43.275
Base-Backbone interact. energy: -0.144
local terms energy: -54.335972
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -11.577
flat angles C4'-P-C4' energy: -10.139
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -11.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -128.943288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.943288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.943288 (E_RNA)
where:
Base-Base interactions energy: -76.868
where: short stacking energy: -42.522
Base-Backbone interact. energy: -0.049
local terms energy: -52.026221
where:
bonds (distance) C4'-P energy: -6.715
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -11.144
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -8.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -85.543044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.543044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.543044 (E_RNA)
where:
Base-Base interactions energy: -37.193
where: short stacking energy: -34.204
Base-Backbone interact. energy: -0.137
local terms energy: -48.213437
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -10.912
flat angles P-C4'-P energy: -6.098
tors. eta vs tors. theta energy: -2.324
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: 4
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -81.212314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.212314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.212314 (E_RNA)
where:
Base-Base interactions energy: -30.031
where: short stacking energy: -30.031
Base-Backbone interact. energy: -0.175
local terms energy: -51.006495
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -9.720
flat angles C4'-P-C4' energy: -10.675
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -6.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -226.308172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.308172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.308172 (E_RNA)
where:
Base-Base interactions energy: -145.996
where: short stacking energy: -75.104
Base-Backbone interact. energy: -0.000
local terms energy: -80.312049
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -21.681
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: 215
Temperature: 0.950000
Total energy: -222.855640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.855640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.855640 (E_RNA)
where:
Base-Base interactions energy: -148.487
where: short stacking energy: -56.085
Base-Backbone interact. energy: -2.373
local terms energy: -71.995844
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -19.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -185.119898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.119898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.119898 (E_RNA)
where:
Base-Base interactions energy: -112.627
where: short stacking energy: -54.073
Base-Backbone interact. energy: -0.193
local terms energy: -72.299566
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -15.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -178.434268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.434268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.434268 (E_RNA)
where:
Base-Base interactions energy: -107.257
where: short stacking energy: -49.977
Base-Backbone interact. energy: -0.187
local terms energy: -70.989855
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -11.077
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: 5, replica: 5
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -155.798780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.798780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.798780 (E_RNA)
where:
Base-Base interactions energy: -92.661
where: short stacking energy: -53.710
Base-Backbone interact. energy: -0.058
local terms energy: -63.080422
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -10.775
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -11.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -140.270546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.270546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.270546 (E_RNA)
where:
Base-Base interactions energy: -76.539
where: short stacking energy: -37.329
Base-Backbone interact. energy: -0.568
local terms energy: -63.163664
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -9.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -132.124550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.124550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.124550 (E_RNA)
where:
Base-Base interactions energy: -83.057
where: short stacking energy: -44.730
Base-Backbone interact. energy: 2.706
local terms energy: -51.773726
where:
bonds (distance) C4'-P energy: -8.662
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -5.756
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: 10
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -95.276499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.276499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.276499 (E_RNA)
where:
Base-Base interactions energy: -39.357
where: short stacking energy: -36.840
Base-Backbone interact. energy: -0.051
local terms energy: -55.868122
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -12.100
flat angles C4'-P-C4' energy: -10.197
flat angles P-C4'-P energy: -12.068
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: 9, replica: 1
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -81.362712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.362712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.362712 (E_RNA)
where:
Base-Base interactions energy: -28.592
where: short stacking energy: -28.592
Base-Backbone interact. energy: -0.096
local terms energy: -52.675038
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -1.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -79.573996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.573996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.573996 (E_RNA)
where:
Base-Base interactions energy: -29.332
where: short stacking energy: -29.008
Base-Backbone interact. energy: -0.144
local terms energy: -50.097748
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -4.797
tors. eta vs tors. theta energy: -2.307
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: 1, replica: 8
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -230.579870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.579870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.579870 (E_RNA)
where:
Base-Base interactions energy: -153.197
where: short stacking energy: -67.814
Base-Backbone interact. energy: -0.390
local terms energy: -76.993096
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -16.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -223.290115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.290115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.290115 (E_RNA)
where:
Base-Base interactions energy: -144.138
where: short stacking energy: -73.303
Base-Backbone interact. energy: -0.153
local terms energy: -78.999687
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -20.816
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: 3, replica: 3
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -187.038569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.038569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.038569 (E_RNA)
where:
Base-Base interactions energy: -111.077
where: short stacking energy: -54.126
Base-Backbone interact. energy: -0.646
local terms energy: -75.315906
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -13.793
tors. eta vs tors. theta energy: -12.827
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: 6
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -180.139536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.139536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.139536 (E_RNA)
where:
Base-Base interactions energy: -106.282
where: short stacking energy: -51.348
Base-Backbone interact. energy: -0.628
local terms energy: -73.229655
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -10.059
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: 5, replica: 9
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -132.942365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.942365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.942365 (E_RNA)
where:
Base-Base interactions energy: -81.852
where: short stacking energy: -35.804
Base-Backbone interact. energy: 1.338
local terms energy: -52.428857
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -9.026
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -7.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -155.545688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.545688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.545688 (E_RNA)
where:
Base-Base interactions energy: -93.585
where: short stacking energy: -46.944
Base-Backbone interact. energy: -0.621
local terms energy: -61.339008
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -9.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -136.300749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.300749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.300749 (E_RNA)
where:
Base-Base interactions energy: -74.432
where: short stacking energy: -42.407
Base-Backbone interact. energy: -0.693
local terms energy: -61.175173
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -5.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -84.220490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.220490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.220490 (E_RNA)
where:
Base-Base interactions energy: -29.113
where: short stacking energy: -25.587
Base-Backbone interact. energy: -0.490
local terms energy: -54.617562
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -2.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -94.172263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.172263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.172263 (E_RNA)
where:
Base-Base interactions energy: -39.285
where: short stacking energy: -33.809
Base-Backbone interact. energy: -0.328
local terms energy: -54.558815
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -8.651
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -7.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -75.063375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.063375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.063375 (E_RNA)
where:
Base-Base interactions energy: -27.191
where: short stacking energy: -16.057
Base-Backbone interact. energy: -0.398
local terms energy: -47.474287
where:
bonds (distance) C4'-P energy: -16.772
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: 4.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -226.917999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.917999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.917999 (E_RNA)
where:
Base-Base interactions energy: -151.769
where: short stacking energy: -69.095
Base-Backbone interact. energy: -0.007
local terms energy: -75.141364
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -18.620
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: 2
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -224.022778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.022778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.022778 (E_RNA)
where:
Base-Base interactions energy: -142.601
where: short stacking energy: -69.978
Base-Backbone interact. energy: 0.625
local terms energy: -82.047081
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -19.543
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: 3
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -176.675639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.675639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.675639 (E_RNA)
where:
Base-Base interactions energy: -108.742
where: short stacking energy: -60.729
Base-Backbone interact. energy: -0.226
local terms energy: -67.707418
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -7.755
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: 4, replica: 6
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -171.806907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.806907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.806907 (E_RNA)
where:
Base-Base interactions energy: -100.535
where: short stacking energy: -57.358
Base-Backbone interact. energy: -0.363
local terms energy: -70.908815
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -15.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -145.546790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.546790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.546790 (E_RNA)
where:
Base-Base interactions energy: -77.958
where: short stacking energy: -35.429
Base-Backbone interact. energy: -0.299
local terms energy: -67.290066
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -8.263
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: 5
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -142.607725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.607725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.607725 (E_RNA)
where:
Base-Base interactions energy: -91.413
where: short stacking energy: -49.187
Base-Backbone interact. energy: -0.020
local terms energy: -51.174569
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -9.421
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -8.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -130.353768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.353768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.353768 (E_RNA)
where:
Base-Base interactions energy: -71.288
where: short stacking energy: -46.193
Base-Backbone interact. energy: -0.180
local terms energy: -58.885692
where:
bonds (distance) C4'-P energy: -9.457
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -11.106
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: 8, replica: 1
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -84.060189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.060189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.060189 (E_RNA)
where:
Base-Base interactions energy: -36.720
where: short stacking energy: -33.155
Base-Backbone interact. energy: -0.370
local terms energy: -46.970081
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -8.985
flat angles P-C4'-P energy: -5.627
tors. eta vs tors. theta energy: -4.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -86.512883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.512883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.512883 (E_RNA)
where:
Base-Base interactions energy: -32.964
where: short stacking energy: -33.083
Base-Backbone interact. energy: 0.441
local terms energy: -53.989664
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -3.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -78.227668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.227668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.227668 (E_RNA)
where:
Base-Base interactions energy: -25.972
where: short stacking energy: -25.972
Base-Backbone interact. energy: -0.037
local terms energy: -52.218598
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -8.017
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -3.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -223.261352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.261352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.261352 (E_RNA)
where:
Base-Base interactions energy: -142.993
where: short stacking energy: -70.522
Base-Backbone interact. energy: -0.071
local terms energy: -80.197843
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -16.510
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -13.473
tors. eta vs tors. theta energy: -20.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -225.898497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.898497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.898497 (E_RNA)
where:
Base-Base interactions energy: -149.846
where: short stacking energy: -69.348
Base-Backbone interact. energy: -0.155
local terms energy: -75.897881
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -15.626
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -11.617
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: 3, replica: 6
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -187.073450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.073450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.073450 (E_RNA)
where:
Base-Base interactions energy: -114.690
where: short stacking energy: -63.535
Base-Backbone interact. energy: -0.496
local terms energy: -71.886774
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -13.476
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: 4, replica: 3
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -185.882697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.882697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.882697 (E_RNA)
where:
Base-Base interactions energy: -116.149
where: short stacking energy: -64.699
Base-Backbone interact. energy: -0.102
local terms energy: -69.631294
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -18.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -179.185316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.185316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.185316 (E_RNA)
where:
Base-Base interactions energy: -119.217
where: short stacking energy: -55.518
Base-Backbone interact. energy: -0.958
local terms energy: -59.009807
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -7.687
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: 9
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -135.393912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.393912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.393912 (E_RNA)
where:
Base-Base interactions energy: -83.996
where: short stacking energy: -40.959
Base-Backbone interact. energy: -1.529
local terms energy: -49.869363
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -9.955
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -4.452
tors. eta vs tors. theta energy: -7.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -102.471333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.471333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.471333 (E_RNA)
where:
Base-Base interactions energy: -51.502
where: short stacking energy: -35.843
Base-Backbone interact. energy: 0.618
local terms energy: -51.588265
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -11.627
flat angles P-C4'-P energy: -5.531
tors. eta vs tors. theta energy: -4.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -123.221787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.221787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.221787 (E_RNA)
where:
Base-Base interactions energy: -62.239
where: short stacking energy: -35.503
Base-Backbone interact. energy: -0.005
local terms energy: -60.977696
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -11.390
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: 4
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -96.165888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.165888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.165888 (E_RNA)
where:
Base-Base interactions energy: -39.962
where: short stacking energy: -39.962
Base-Backbone interact. energy: -0.009
local terms energy: -56.195508
where:
bonds (distance) C4'-P energy: -7.744
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -7.707
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: 10
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -83.116791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.116791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.116791 (E_RNA)
where:
Base-Base interactions energy: -28.658
where: short stacking energy: -28.658
Base-Backbone interact. energy: -0.364
local terms energy: -54.094719
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -4.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -226.921716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.921716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.921716 (E_RNA)
where:
Base-Base interactions energy: -146.167
where: short stacking energy: -72.030
Base-Backbone interact. energy: -0.006
local terms energy: -80.748223
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -16.863
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -22.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -226.164395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.164395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.164395 (E_RNA)
where:
Base-Base interactions energy: -151.835
where: short stacking energy: -74.224
Base-Backbone interact. energy: -0.000
local terms energy: -74.329242
where:
bonds (distance) C4'-P energy: -10.747
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -19.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -180.781792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.781792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.781792 (E_RNA)
where:
Base-Base interactions energy: -115.918
where: short stacking energy: -62.903
Base-Backbone interact. energy: -0.011
local terms energy: -64.852526
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -10.067
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: 5
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -203.211365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.211365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.211365 (E_RNA)
where:
Base-Base interactions energy: -130.126
where: short stacking energy: -61.247
Base-Backbone interact. energy: 0.240
local terms energy: -73.325850
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -20.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -175.291873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.291873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.291873 (E_RNA)
where:
Base-Base interactions energy: -110.372
where: short stacking energy: -57.433
Base-Backbone interact. energy: -0.066
local terms energy: -64.853678
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -10.322
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -18.370
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: 6, replica: 1
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -102.209206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.209206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.209206 (E_RNA)
where:
Base-Base interactions energy: -56.159
where: short stacking energy: -29.248
Base-Backbone interact. energy: -0.753
local terms energy: -45.297036
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -5.668
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -0.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -144.877720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.877720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.877720 (E_RNA)
where:
Base-Base interactions energy: -90.708
where: short stacking energy: -37.583
Base-Backbone interact. energy: -0.136
local terms energy: -54.033933
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -11.932
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -7.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -132.635475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.635475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.635475 (E_RNA)
where:
Base-Base interactions energy: -78.229
where: short stacking energy: -35.086
Base-Backbone interact. energy: -0.138
local terms energy: -54.268324
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -9.755
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -7.213
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: 4
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -80.932370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.932370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.932370 (E_RNA)
where:
Base-Base interactions energy: -26.272
where: short stacking energy: -26.272
Base-Backbone interact. energy: -0.032
local terms energy: -54.628587
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -4.682
tors. eta vs tors. theta energy: -3.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -73.642214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.642214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.642214 (E_RNA)
where:
Base-Base interactions energy: -29.193
where: short stacking energy: -24.413
Base-Backbone interact. energy: -0.274
local terms energy: -44.175573
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -6.741
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -3.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -228.448675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.448675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.448675 (E_RNA)
where:
Base-Base interactions energy: -152.725
where: short stacking energy: -62.961
Base-Backbone interact. energy: 0.531
local terms energy: -76.254834
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -17.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -218.165751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.165751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.165751 (E_RNA)
where:
Base-Base interactions energy: -141.616
where: short stacking energy: -73.647
Base-Backbone interact. energy: -0.087
local terms energy: -76.462995
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -19.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -210.086843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.086843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.086843 (E_RNA)
where:
Base-Base interactions energy: -140.350
where: short stacking energy: -68.598
Base-Backbone interact. energy: -0.028
local terms energy: -69.708659
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -18.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -158.313048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.313048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.313048 (E_RNA)
where:
Base-Base interactions energy: -94.894
where: short stacking energy: -49.757
Base-Backbone interact. energy: -0.626
local terms energy: -62.792703
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -10.687
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -12.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -165.093141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.093141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.093141 (E_RNA)
where:
Base-Base interactions energy: -100.345
where: short stacking energy: -49.807
Base-Backbone interact. energy: -0.113
local terms energy: -64.635946
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -14.264
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: 1
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -92.386353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.386353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.386353 (E_RNA)
where:
Base-Base interactions energy: -35.070
where: short stacking energy: -35.070
Base-Backbone interact. energy: -0.284
local terms energy: -57.032263
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -7.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -139.137798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.137798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.137798 (E_RNA)
where:
Base-Base interactions energy: -82.527
where: short stacking energy: -43.768
Base-Backbone interact. energy: 1.026
local terms energy: -57.636798
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -10.969
flat angles P-C4'-P energy: -6.473
tors. eta vs tors. theta energy: -11.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -89.620872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.620872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.620872 (E_RNA)
where:
Base-Base interactions energy: -41.030
where: short stacking energy: -30.263
Base-Backbone interact. energy: -0.148
local terms energy: -48.442323
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -0.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -91.331174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.331174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.331174 (E_RNA)
where:
Base-Base interactions energy: -37.019
where: short stacking energy: -37.019
Base-Backbone interact. energy: -0.087
local terms energy: -54.224626
where:
bonds (distance) C4'-P energy: -12.005
bonds (distance) P-C4' energy: -10.279
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -8.835
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: 10, replica: 10
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -100.617715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.617715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.617715 (E_RNA)
where:
Base-Base interactions energy: -46.002
where: short stacking energy: -28.450
Base-Backbone interact. energy: -0.392
local terms energy: -54.224165
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -2.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -226.029321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.029321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.029321 (E_RNA)
where:
Base-Base interactions energy: -156.547
where: short stacking energy: -64.080
Base-Backbone interact. energy: -0.105
local terms energy: -69.376859
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -18.449
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: 221
Temperature: 0.950000
Total energy: -215.567530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.567530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.567530 (E_RNA)
where:
Base-Base interactions energy: -138.455
where: short stacking energy: -65.234
Base-Backbone interact. energy: -0.595
local terms energy: -76.517328
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -12.831
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: 3, replica: 8
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -213.370104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.370104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.370104 (E_RNA)
where:
Base-Base interactions energy: -145.014
where: short stacking energy: -54.786
Base-Backbone interact. energy: -1.976
local terms energy: -66.379878
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -11.042
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -16.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -172.192107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.192107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.192107 (E_RNA)
where:
Base-Base interactions energy: -108.966
where: short stacking energy: -56.913
Base-Backbone interact. energy: -0.192
local terms energy: -63.034124
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -12.648
flat angles P-C4'-P energy: -9.419
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: 5, replica: 6
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -168.124405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.124405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.124405 (E_RNA)
where:
Base-Base interactions energy: -96.801
where: short stacking energy: -53.737
Base-Backbone interact. energy: -0.577
local terms energy: -70.745913
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -11.048
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -18.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -157.664172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.664172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.664172 (E_RNA)
where:
Base-Base interactions energy: -98.014
where: short stacking energy: -48.911
Base-Backbone interact. energy: -0.255
local terms energy: -59.395438
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -7.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -91.101203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.101203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.101203 (E_RNA)
where:
Base-Base interactions energy: -39.297
where: short stacking energy: -30.703
Base-Backbone interact. energy: -0.069
local terms energy: -51.734477
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -10.089
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -3.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -87.010926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.010926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.010926 (E_RNA)
where:
Base-Base interactions energy: -32.373
where: short stacking energy: -30.948
Base-Backbone interact. energy: -0.118
local terms energy: -54.520469
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -11.209
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -6.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -86.006451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.006451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.006451 (E_RNA)
where:
Base-Base interactions energy: -37.760
where: short stacking energy: -29.632
Base-Backbone interact. energy: -0.008
local terms energy: -48.238532
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -11.614
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -7.365
tors. eta vs tors. theta energy: -2.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -82.545672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.545672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.545672 (E_RNA)
where:
Base-Base interactions energy: -50.177
where: short stacking energy: -38.413
Base-Backbone interact. energy: 2.729
local terms energy: -35.098045
where:
bonds (distance) C4'-P energy: -4.080
bonds (distance) P-C4' energy: -13.639
flat angles C4'-P-C4' energy: -6.515
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -3.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -225.225472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.225472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.225472 (E_RNA)
where:
Base-Base interactions energy: -156.890
where: short stacking energy: -77.392
Base-Backbone interact. energy: -0.523
local terms energy: -67.813286
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -7.992
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: 2, replica: 2
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -218.174585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.174585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.174585 (E_RNA)
where:
Base-Base interactions energy: -149.378
where: short stacking energy: -62.152
Base-Backbone interact. energy: -0.050
local terms energy: -68.746622
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -15.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -214.392671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.392671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.392671 (E_RNA)
where:
Base-Base interactions energy: -142.930
where: short stacking energy: -61.897
Base-Backbone interact. energy: -0.003
local terms energy: -71.459375
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -2.568
tors. eta vs tors. theta energy: -20.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -176.652398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.652398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.652398 (E_RNA)
where:
Base-Base interactions energy: -108.692
where: short stacking energy: -53.780
Base-Backbone interact. energy: -0.010
local terms energy: -67.951259
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -6.793
tors. eta vs tors. theta energy: -19.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -186.933435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.933435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.933435 (E_RNA)
where:
Base-Base interactions energy: -117.194
where: short stacking energy: -62.806
Base-Backbone interact. energy: -0.603
local terms energy: -69.136360
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -11.795
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -12.972
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: 6, replica: 9
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -159.306392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.306392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.306392 (E_RNA)
where:
Base-Base interactions energy: -93.744
where: short stacking energy: -49.390
Base-Backbone interact. energy: -0.717
local terms energy: -64.845802
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -7.023
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: 7, replica: 1
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -85.246698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.246698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.246698 (E_RNA)
where:
Base-Base interactions energy: -34.945
where: short stacking energy: -29.264
Base-Backbone interact. energy: -0.407
local terms energy: -49.894757
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -12.346
flat angles C4'-P-C4' energy: -9.069
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -2.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -84.866213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.866213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.866213 (E_RNA)
where:
Base-Base interactions energy: -30.339
where: short stacking energy: -21.262
Base-Backbone interact. energy: 0.821
local terms energy: -55.347409
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -12.269
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -3.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -78.023937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.023937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.023937 (E_RNA)
where:
Base-Base interactions energy: -21.921
where: short stacking energy: -22.716
Base-Backbone interact. energy: -0.911
local terms energy: -55.192241
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -4.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -70.521620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.521620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.521620 (E_RNA)
where:
Base-Base interactions energy: -23.359
where: short stacking energy: -14.242
Base-Backbone interact. energy: -0.108
local terms energy: -47.054336
where:
bonds (distance) C4'-P energy: -13.310
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: 1.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -218.108046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.108046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.108046 (E_RNA)
where:
Base-Base interactions energy: -140.152
where: short stacking energy: -59.393
Base-Backbone interact. energy: -0.048
local terms energy: -77.907631
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -5.806
tors. eta vs tors. theta energy: -23.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -219.106199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.106199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.106199 (E_RNA)
where:
Base-Base interactions energy: -144.232
where: short stacking energy: -64.305
Base-Backbone interact. energy: -0.862
local terms energy: -74.012730
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -17.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -226.267141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.267141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.267141 (E_RNA)
where:
Base-Base interactions energy: -149.356
where: short stacking energy: -62.517
Base-Backbone interact. energy: -0.049
local terms energy: -76.862055
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -20.774
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: 6
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -178.374964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.374964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.374964 (E_RNA)
where:
Base-Base interactions energy: -112.017
where: short stacking energy: -48.686
Base-Backbone interact. energy: 1.022
local terms energy: -67.379483
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -14.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -180.520804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.520804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.520804 (E_RNA)
where:
Base-Base interactions energy: -108.498
where: short stacking energy: -56.759
Base-Backbone interact. energy: -0.453
local terms energy: -71.569584
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -12.978
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: 9
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -168.363165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.363165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.363165 (E_RNA)
where:
Base-Base interactions energy: -106.825
where: short stacking energy: -54.375
Base-Backbone interact. energy: -0.602
local terms energy: -60.936756
where:
bonds (distance) C4'-P energy: -10.125
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -9.083
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: 7, replica: 1
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -98.679307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.679307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.679307 (E_RNA)
where:
Base-Base interactions energy: -39.680
where: short stacking energy: -33.614
Base-Backbone interact. energy: -0.185
local terms energy: -58.814426
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -16.447
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -5.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -84.335584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.335584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.335584 (E_RNA)
where:
Base-Base interactions energy: -34.403
where: short stacking energy: -22.453
Base-Backbone interact. energy: -0.054
local terms energy: -49.877959
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -7.148
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: 9, replica: 4
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -83.827363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.827363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.827363 (E_RNA)
where:
Base-Base interactions energy: -25.110
where: short stacking energy: -21.501
Base-Backbone interact. energy: -0.104
local terms energy: -58.613503
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -0.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -87.190082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.190082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.190082 (E_RNA)
where:
Base-Base interactions energy: -39.960
where: short stacking energy: -29.589
Base-Backbone interact. energy: 0.951
local terms energy: -48.180753
where:
bonds (distance) C4'-P energy: -9.727
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -11.700
flat angles P-C4'-P energy: -10.072
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: 5
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -227.546419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.546419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.546419 (E_RNA)
where:
Base-Base interactions energy: -151.482
where: short stacking energy: -68.871
Base-Backbone interact. energy: -0.426
local terms energy: -75.637777
where:
bonds (distance) C4'-P energy: -17.712
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -19.517
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: 8
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -209.457455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.457455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.457455 (E_RNA)
where:
Base-Base interactions energy: -144.193
where: short stacking energy: -61.892
Base-Backbone interact. energy: 0.497
local terms energy: -65.761541
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -14.030
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -16.523
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: 3, replica: 2
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -205.226347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.226347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.226347 (E_RNA)
where:
Base-Base interactions energy: -133.119
where: short stacking energy: -50.933
Base-Backbone interact. energy: 0.531
local terms energy: -72.637738
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -18.089
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -13.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -179.477532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.477532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.477532 (E_RNA)
where:
Base-Base interactions energy: -113.114
where: short stacking energy: -46.953
Base-Backbone interact. energy: -0.169
local terms energy: -66.195167
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -13.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -166.257477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.257477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.257477 (E_RNA)
where:
Base-Base interactions energy: -106.481
where: short stacking energy: -45.720
Base-Backbone interact. energy: -0.099
local terms energy: -59.677573
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -8.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -153.338736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.338736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.338736 (E_RNA)
where:
Base-Base interactions energy: -92.758
where: short stacking energy: -57.411
Base-Backbone interact. energy: -0.665
local terms energy: -59.915599
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -10.231
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -10.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -103.617261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.617261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.617261 (E_RNA)
where:
Base-Base interactions energy: -41.334
where: short stacking energy: -41.334
Base-Backbone interact. energy: -0.225
local terms energy: -62.057970
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -9.275
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -8.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -85.933497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.933497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.933497 (E_RNA)
where:
Base-Base interactions energy: -26.480
where: short stacking energy: -22.167
Base-Backbone interact. energy: -0.156
local terms energy: -59.297765
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: -2.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -82.436386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.436386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.436386 (E_RNA)
where:
Base-Base interactions energy: -32.558
where: short stacking energy: -31.749
Base-Backbone interact. energy: -0.165
local terms energy: -49.713483
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -10.373
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -6.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -78.073831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.073831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.073831 (E_RNA)
where:
Base-Base interactions energy: -31.002
where: short stacking energy: -16.425
Base-Backbone interact. energy: -0.049
local terms energy: -47.022851
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: 1.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -229.519094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.519094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.519094 (E_RNA)
where:
Base-Base interactions energy: -148.569
where: short stacking energy: -75.077
Base-Backbone interact. energy: -0.005
local terms energy: -80.945260
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -22.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -210.754101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.754101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.754101 (E_RNA)
where:
Base-Base interactions energy: -137.805
where: short stacking energy: -66.965
Base-Backbone interact. energy: 0.631
local terms energy: -73.579601
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -17.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -205.828151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.828151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.828151 (E_RNA)
where:
Base-Base interactions energy: -143.255
where: short stacking energy: -55.149
Base-Backbone interact. energy: 0.068
local terms energy: -62.641367
where:
bonds (distance) C4'-P energy: -8.037
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: -14.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -184.249058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.249058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.249058 (E_RNA)
where:
Base-Base interactions energy: -116.653
where: short stacking energy: -53.526
Base-Backbone interact. energy: -0.454
local terms energy: -67.142236
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -10.978
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -14.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -176.322640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.322640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.322640 (E_RNA)
where:
Base-Base interactions energy: -114.151
where: short stacking energy: -59.373
Base-Backbone interact. energy: 0.069
local terms energy: -62.240942
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: -13.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -160.366393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.366393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.366393 (E_RNA)
where:
Base-Base interactions energy: -103.725
where: short stacking energy: -55.036
Base-Backbone interact. energy: -0.805
local terms energy: -55.836420
where:
bonds (distance) C4'-P energy: -9.520
bonds (distance) P-C4' energy: -8.893
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -15.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -89.400659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.400659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.400659 (E_RNA)
where:
Base-Base interactions energy: -37.594
where: short stacking energy: -30.028
Base-Backbone interact. energy: -0.687
local terms energy: -51.119809
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -12.287
flat angles C4'-P-C4' energy: -11.015
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -6.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -83.193091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.193091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.193091 (E_RNA)
where:
Base-Base interactions energy: -30.327
where: short stacking energy: -29.546
Base-Backbone interact. energy: -0.073
local terms energy: -52.793191
where:
bonds (distance) C4'-P energy: -10.622
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -6.312
tors. eta vs tors. theta energy: -7.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -86.514923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.514923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.514923 (E_RNA)
where:
Base-Base interactions energy: -29.862
where: short stacking energy: -28.388
Base-Backbone interact. energy: -1.079
local terms energy: -55.573958
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: -4.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -79.441587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.441587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.441587 (E_RNA)
where:
Base-Base interactions energy: -27.826
where: short stacking energy: -21.885
Base-Backbone interact. energy: -1.014
local terms energy: -50.602324
where:
bonds (distance) C4'-P energy: -7.905
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -10.464
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: -2.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -210.998129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.998129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.998129 (E_RNA)
where:
Base-Base interactions energy: -140.554
where: short stacking energy: -57.631
Base-Backbone interact. energy: -0.035
local terms energy: -70.409106
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -13.201
tors. eta vs tors. theta energy: -10.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -227.337928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.337928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.337928 (E_RNA)
where:
Base-Base interactions energy: -143.256
where: short stacking energy: -72.954
Base-Backbone interact. energy: -0.101
local terms energy: -83.981643
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -21.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -209.139767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.139767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.139767 (E_RNA)
where:
Base-Base interactions energy: -139.969
where: short stacking energy: -54.448
Base-Backbone interact. energy: -0.002
local terms energy: -69.168024
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -17.645
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -9.994
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: 4, replica: 3
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -172.037976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.037976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.037976 (E_RNA)
where:
Base-Base interactions energy: -104.750
where: short stacking energy: -51.248
Base-Backbone interact. energy: -0.208
local terms energy: -67.080105
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -9.340
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: 5, replica: 6
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -171.857966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.857966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.857966 (E_RNA)
where:
Base-Base interactions energy: -110.110
where: short stacking energy: -51.544
Base-Backbone interact. energy: -0.554
local terms energy: -61.194060
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -11.980
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -11.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -165.836542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.836542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.836542 (E_RNA)
where:
Base-Base interactions energy: -112.066
where: short stacking energy: -53.629
Base-Backbone interact. energy: -0.364
local terms energy: -53.407010
where:
bonds (distance) C4'-P energy: -9.461
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -6.453
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: 4
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -102.968595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.968595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.968595 (E_RNA)
where:
Base-Base interactions energy: -53.067
where: short stacking energy: -40.859
Base-Backbone interact. energy: -0.250
local terms energy: -49.651962
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -11.598
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -6.682
tors. eta vs tors. theta energy: -9.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -88.637583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.637583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.637583 (E_RNA)
where:
Base-Base interactions energy: -40.366
where: short stacking energy: -40.366
Base-Backbone interact. energy: -0.186
local terms energy: -48.085702
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -10.902
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -4.195
tors. eta vs tors. theta energy: -7.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -92.413543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.413543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.413543 (E_RNA)
where:
Base-Base interactions energy: -32.515
where: short stacking energy: -31.935
Base-Backbone interact. energy: -0.054
local terms energy: -59.844852
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -5.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -79.218086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.218086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.218086 (E_RNA)
where:
Base-Base interactions energy: -30.866
where: short stacking energy: -30.866
Base-Backbone interact. energy: 0.063
local terms energy: -48.415561
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -5.948
tors. eta vs tors. theta energy: -2.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -220.442178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.442178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.442178 (E_RNA)
where:
Base-Base interactions energy: -142.779
where: short stacking energy: -70.566
Base-Backbone interact. energy: -0.079
local terms energy: -77.583933
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -17.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -222.620913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.620913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.620913 (E_RNA)
where:
Base-Base interactions energy: -150.756
where: short stacking energy: -69.012
Base-Backbone interact. energy: -0.374
local terms energy: -71.490875
where:
bonds (distance) C4'-P energy: -6.965
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -20.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -214.605596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.605596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.605596 (E_RNA)
where:
Base-Base interactions energy: -140.640
where: short stacking energy: -68.634
Base-Backbone interact. energy: -0.106
local terms energy: -73.859921
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -12.248
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -22.183
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: 227
Temperature: 1.050000
Total energy: -168.743111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.743111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.743111 (E_RNA)
where:
Base-Base interactions energy: -104.212
where: short stacking energy: -57.093
Base-Backbone interact. energy: -0.255
local terms energy: -64.276409
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -13.168
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -8.737
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: 5, replica: 3
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -159.811293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.811293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.811293 (E_RNA)
where:
Base-Base interactions energy: -101.155
where: short stacking energy: -45.570
Base-Backbone interact. energy: 0.171
local terms energy: -58.827703
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -7.149
tors. eta vs tors. theta energy: -7.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -152.406455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.406455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.406455 (E_RNA)
where:
Base-Base interactions energy: -95.167
where: short stacking energy: -47.271
Base-Backbone interact. energy: -0.330
local terms energy: -56.910086
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -13.285
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -8.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -94.830804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.830804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.830804 (E_RNA)
where:
Base-Base interactions energy: -36.652
where: short stacking energy: -36.652
Base-Backbone interact. energy: -0.121
local terms energy: -58.057990
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -5.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -91.267004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.267004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.267004 (E_RNA)
where:
Base-Base interactions energy: -37.754
where: short stacking energy: -36.773
Base-Backbone interact. energy: -0.086
local terms energy: -53.426921
where:
bonds (distance) C4'-P energy: -9.334
bonds (distance) P-C4' energy: -16.941
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -5.997
tors. eta vs tors. theta energy: -8.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -74.964040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.964040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.964040 (E_RNA)
where:
Base-Base interactions energy: -23.786
where: short stacking energy: -21.121
Base-Backbone interact. energy: -0.245
local terms energy: -50.932704
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -6.707
tors. eta vs tors. theta energy: -0.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -74.993852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.993852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.993852 (E_RNA)
where:
Base-Base interactions energy: -22.275
where: short stacking energy: -18.383
Base-Backbone interact. energy: -0.177
local terms energy: -52.542582
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: 0.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -225.949935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.949935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.949935 (E_RNA)
where:
Base-Base interactions energy: -142.785
where: short stacking energy: -66.329
Base-Backbone interact. energy: -0.025
local terms energy: -83.140016
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -21.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -224.964442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.964442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.964442 (E_RNA)
where:
Base-Base interactions energy: -148.212
where: short stacking energy: -74.296
Base-Backbone interact. energy: 0.119
local terms energy: -76.872041
where:
bonds (distance) C4'-P energy: -11.996
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -13.696
tors. eta vs tors. theta energy: -20.359
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: 3, replica: 5
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -220.524861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.524861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.524861 (E_RNA)
where:
Base-Base interactions energy: -145.607
where: short stacking energy: -66.403
Base-Backbone interact. energy: -0.144
local terms energy: -74.773125
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -12.710
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -19.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -183.324921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.324921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.324921 (E_RNA)
where:
Base-Base interactions energy: -119.010
where: short stacking energy: -58.190
Base-Backbone interact. energy: -0.135
local terms energy: -64.180460
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -9.632
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: 5, replica: 3
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -178.962506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.962506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.962506 (E_RNA)
where:
Base-Base interactions energy: -109.690
where: short stacking energy: -59.718
Base-Backbone interact. energy: -1.626
local terms energy: -67.646530
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -13.168
flat angles C4'-P-C4' energy: -10.431
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -16.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -149.814133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.814133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.814133 (E_RNA)
where:
Base-Base interactions energy: -85.621
where: short stacking energy: -51.107
Base-Backbone interact. energy: -0.160
local terms energy: -64.032921
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -13.263
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -14.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -94.877813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.877813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.877813 (E_RNA)
where:
Base-Base interactions energy: -39.792
where: short stacking energy: -27.747
Base-Backbone interact. energy: -0.155
local terms energy: -54.930238
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -11.469
flat angles C4'-P-C4' energy: -14.245
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -3.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -85.908907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.908907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.908907 (E_RNA)
where:
Base-Base interactions energy: -31.914
where: short stacking energy: -29.110
Base-Backbone interact. energy: -0.422
local terms energy: -53.572716
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -3.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -84.522603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.522603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.522603 (E_RNA)
where:
Base-Base interactions energy: -36.841
where: short stacking energy: -36.841
Base-Backbone interact. energy: -0.158
local terms energy: -47.523104
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -10.503
flat angles P-C4'-P energy: -4.397
tors. eta vs tors. theta energy: -5.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -73.147113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.147113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.147113 (E_RNA)
where:
Base-Base interactions energy: -27.224
where: short stacking energy: -27.224
Base-Backbone interact. energy: 1.399
local terms energy: -47.321503
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -11.497
flat angles C4'-P-C4' energy: -9.599
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -6.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -220.615054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.615054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.615054 (E_RNA)
where:
Base-Base interactions energy: -155.071
where: short stacking energy: -66.684
Base-Backbone interact. energy: -0.082
local terms energy: -65.461377
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -13.309
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -17.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -221.543917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.543917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.543917 (E_RNA)
where:
Base-Base interactions energy: -139.227
where: short stacking energy: -63.842
Base-Backbone interact. energy: -0.026
local terms energy: -82.291319
where:
bonds (distance) C4'-P energy: -16.776
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -23.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -215.942511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.942511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.942511 (E_RNA)
where:
Base-Base interactions energy: -143.606
where: short stacking energy: -62.507
Base-Backbone interact. energy: -0.004
local terms energy: -72.332859
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -11.340
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -20.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -186.153643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.153643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.153643 (E_RNA)
where:
Base-Base interactions energy: -122.127
where: short stacking energy: -56.247
Base-Backbone interact. energy: -0.462
local terms energy: -63.565056
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -12.352
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: 5, replica: 6
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -186.324594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.324594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.324594 (E_RNA)
where:
Base-Base interactions energy: -111.947
where: short stacking energy: -65.310
Base-Backbone interact. energy: -0.016
local terms energy: -74.361807
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -18.014
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -17.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -160.132562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.132562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.132562 (E_RNA)
where:
Base-Base interactions energy: -105.502
where: short stacking energy: -56.292
Base-Backbone interact. energy: -0.718
local terms energy: -53.912090
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -11.852
flat angles P-C4'-P energy: -4.580
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: 7, replica: 4
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -90.708016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.708016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.708016 (E_RNA)
where:
Base-Base interactions energy: -31.319
where: short stacking energy: -31.204
Base-Backbone interact. energy: -0.167
local terms energy: -59.222713
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -10.109
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -4.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -87.811422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.811422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.811422 (E_RNA)
where:
Base-Base interactions energy: -37.412
where: short stacking energy: -32.766
Base-Backbone interact. energy: -0.121
local terms energy: -50.278297
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -0.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -79.803841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.803841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.803841 (E_RNA)
where:
Base-Base interactions energy: -42.066
where: short stacking energy: -30.643
Base-Backbone interact. energy: -0.560
local terms energy: -37.177594
where:
bonds (distance) C4'-P energy: -9.574
bonds (distance) P-C4' energy: -10.595
flat angles C4'-P-C4' energy: -9.036
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -0.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -90.532052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.532052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.532052 (E_RNA)
where:
Base-Base interactions energy: -47.438
where: short stacking energy: -24.110
Base-Backbone interact. energy: 1.244
local terms energy: -44.338744
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -10.783
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: 2.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -227.331493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.331493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.331493 (E_RNA)
where:
Base-Base interactions energy: -158.799
where: short stacking energy: -66.151
Base-Backbone interact. energy: -0.035
local terms energy: -68.497559
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -17.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -216.628047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.628047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.628047 (E_RNA)
where:
Base-Base interactions energy: -141.868
where: short stacking energy: -65.988
Base-Backbone interact. energy: -0.177
local terms energy: -74.583649
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -11.670
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -18.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -207.033594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.033594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.033594 (E_RNA)
where:
Base-Base interactions energy: -133.176
where: short stacking energy: -59.694
Base-Backbone interact. energy: -0.530
local terms energy: -73.326837
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -6.333
tors. eta vs tors. theta energy: -18.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -198.695507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.695507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.695507 (E_RNA)
where:
Base-Base interactions energy: -128.667
where: short stacking energy: -57.304
Base-Backbone interact. energy: -0.178
local terms energy: -69.850636
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -8.445
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: 5, replica: 9
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -171.135823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.135823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.135823 (E_RNA)
where:
Base-Base interactions energy: -111.962
where: short stacking energy: -56.432
Base-Backbone interact. energy: -0.541
local terms energy: -58.633336
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -5.127
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: 6
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -166.182590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.182590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.182590 (E_RNA)
where:
Base-Base interactions energy: -101.070
where: short stacking energy: -58.251
Base-Backbone interact. energy: -0.181
local terms energy: -64.931286
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -9.867
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -13.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -146.035234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.035234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.035234 (E_RNA)
where:
Base-Base interactions energy: -87.520
where: short stacking energy: -46.734
Base-Backbone interact. energy: -0.222
local terms energy: -58.293457
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -10.474
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -12.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -104.725271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.725271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.725271 (E_RNA)
where:
Base-Base interactions energy: -48.195
where: short stacking energy: -43.614
Base-Backbone interact. energy: -0.538
local terms energy: -55.991745
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -11.240
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -5.187
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: 9, replica: 7
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -75.808595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.808595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.808595 (E_RNA)
where:
Base-Base interactions energy: -31.309
where: short stacking energy: -20.389
Base-Backbone interact. energy: -0.187
local terms energy: -44.312031
where:
bonds (distance) C4'-P energy: -8.166
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -6.296
tors. eta vs tors. theta energy: -0.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -95.785595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.785595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.785595 (E_RNA)
where:
Base-Base interactions energy: -33.624
where: short stacking energy: -26.353
Base-Backbone interact. energy: -0.283
local terms energy: -61.878605
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -9.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -231.554801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.554801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.554801 (E_RNA)
where:
Base-Base interactions energy: -155.579
where: short stacking energy: -69.612
Base-Backbone interact. energy: -0.069
local terms energy: -75.906562
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -19.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -213.711177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.711177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.711177 (E_RNA)
where:
Base-Base interactions energy: -136.716
where: short stacking energy: -58.298
Base-Backbone interact. energy: -1.671
local terms energy: -75.324234
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -18.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -218.465436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.465436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.465436 (E_RNA)
where:
Base-Base interactions energy: -137.399
where: short stacking energy: -66.422
Base-Backbone interact. energy: -0.125
local terms energy: -80.940898
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -20.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -199.287738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.287738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.287738 (E_RNA)
where:
Base-Base interactions energy: -126.906
where: short stacking energy: -74.194
Base-Backbone interact. energy: -0.139
local terms energy: -72.242641
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -21.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -170.072978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.072978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.072978 (E_RNA)
where:
Base-Base interactions energy: -103.774
where: short stacking energy: -52.887
Base-Backbone interact. energy: -0.310
local terms energy: -65.989318
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -10.111
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -10.960
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: 10
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -126.006636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.006636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.006636 (E_RNA)
where:
Base-Base interactions energy: -69.456
where: short stacking energy: -33.564
Base-Backbone interact. energy: -0.299
local terms energy: -56.252140
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -10.065
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: 7, replica: 6
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -144.790986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.790986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.790986 (E_RNA)
where:
Base-Base interactions energy: -83.630
where: short stacking energy: -43.967
Base-Backbone interact. energy: 0.295
local terms energy: -61.456963
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -6.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -104.203504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.203504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.203504 (E_RNA)
where:
Base-Base interactions energy: -53.152
where: short stacking energy: -42.289
Base-Backbone interact. energy: 0.241
local terms energy: -51.292618
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -9.086
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -3.480
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: 7
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -75.619255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.619255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.619255 (E_RNA)
where:
Base-Base interactions energy: -35.419
where: short stacking energy: -27.170
Base-Backbone interact. energy: 0.025
local terms energy: -40.225830
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -14.900
flat angles C4'-P-C4' energy: -9.586
flat angles P-C4'-P energy: -6.213
tors. eta vs tors. theta energy: 2.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -75.264974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.264974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.264974 (E_RNA)
where:
Base-Base interactions energy: -28.649
where: short stacking energy: -20.872
Base-Backbone interact. energy: -0.226
local terms energy: -46.389500
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -7.676
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -1.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -225.687319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.687319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.687319 (E_RNA)
where:
Base-Base interactions energy: -145.729
where: short stacking energy: -62.717
Base-Backbone interact. energy: -0.100
local terms energy: -79.857951
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -16.985
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -19.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -227.765933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.765933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.765933 (E_RNA)
where:
Base-Base interactions energy: -152.759
where: short stacking energy: -77.682
Base-Backbone interact. energy: -0.014
local terms energy: -74.993139
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -22.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -214.881190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.881190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.881190 (E_RNA)
where:
Base-Base interactions energy: -133.215
where: short stacking energy: -66.904
Base-Backbone interact. energy: -0.114
local terms energy: -81.552699
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -18.384
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -17.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -186.887723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.887723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.887723 (E_RNA)
where:
Base-Base interactions energy: -122.064
where: short stacking energy: -64.496
Base-Backbone interact. energy: -1.371
local terms energy: -63.452129
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -11.075
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -3.992
tors. eta vs tors. theta energy: -20.463
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: 5, replica: 9
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -161.406618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.406618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.406618 (E_RNA)
where:
Base-Base interactions energy: -98.985
where: short stacking energy: -53.799
Base-Backbone interact. energy: -0.083
local terms energy: -62.338589
where:
bonds (distance) C4'-P energy: -11.868
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -8.820
flat angles P-C4'-P energy: -11.443
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: 6, replica: 10
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -120.059813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.059813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.059813 (E_RNA)
where:
Base-Base interactions energy: -55.346
where: short stacking energy: -42.303
Base-Backbone interact. energy: -0.283
local terms energy: -64.431302
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -12.280
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -9.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -92.622124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.622124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.622124 (E_RNA)
where:
Base-Base interactions energy: -46.915
where: short stacking energy: -21.039
Base-Backbone interact. energy: -0.664
local terms energy: -45.043551
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -9.791
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: 0.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -146.568132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.568132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.568132 (E_RNA)
where:
Base-Base interactions energy: -96.958
where: short stacking energy: -41.469
Base-Backbone interact. energy: -0.025
local terms energy: -49.585004
where:
bonds (distance) C4'-P energy: -7.052
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -9.832
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -10.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -91.919143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.919143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.919143 (E_RNA)
where:
Base-Base interactions energy: -33.745
where: short stacking energy: -29.095
Base-Backbone interact. energy: -0.005
local terms energy: -58.169510
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -7.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -85.714031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.714031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.714031 (E_RNA)
where:
Base-Base interactions energy: -40.430
where: short stacking energy: -15.386
Base-Backbone interact. energy: -1.686
local terms energy: -43.597608
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -8.710
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: 4.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -226.835150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.835150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.835150 (E_RNA)
where:
Base-Base interactions energy: -148.858
where: short stacking energy: -73.568
Base-Backbone interact. energy: -1.829
local terms energy: -76.147371
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -10.588
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: 2, replica: 5
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -219.628117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.628117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.628117 (E_RNA)
where:
Base-Base interactions energy: -150.477
where: short stacking energy: -58.963
Base-Backbone interact. energy: -0.242
local terms energy: -68.909023
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -8.567
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: 3, replica: 8
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -219.117789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.117789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.117789 (E_RNA)
where:
Base-Base interactions energy: -141.838
where: short stacking energy: -59.160
Base-Backbone interact. energy: -0.027
local terms energy: -77.253024
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -11.110
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: 4, replica: 9
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -182.848710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.848710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.848710 (E_RNA)
where:
Base-Base interactions energy: -111.191
where: short stacking energy: -58.204
Base-Backbone interact. energy: -1.268
local terms energy: -70.389826
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -10.750
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -17.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -180.821545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.821545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.821545 (E_RNA)
where:
Base-Base interactions energy: -108.473
where: short stacking energy: -59.768
Base-Backbone interact. energy: -0.145
local terms energy: -72.204115
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -11.059
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -15.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -134.299915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.299915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.299915 (E_RNA)
where:
Base-Base interactions energy: -79.433
where: short stacking energy: -45.398
Base-Backbone interact. energy: 0.859
local terms energy: -55.725583
where:
bonds (distance) C4'-P energy: -9.926
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -6.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -98.471940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.471940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.471940 (E_RNA)
where:
Base-Base interactions energy: -50.830
where: short stacking energy: -32.129
Base-Backbone interact. energy: -0.360
local terms energy: -47.281349
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -7.455
flat angles P-C4'-P energy: -6.401
tors. eta vs tors. theta energy: -0.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -121.486649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.486649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.486649 (E_RNA)
where:
Base-Base interactions energy: -69.194
where: short stacking energy: -31.079
Base-Backbone interact. energy: -0.117
local terms energy: -52.174697
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -6.097
tors. eta vs tors. theta energy: -5.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -79.170372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.170372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.170372 (E_RNA)
where:
Base-Base interactions energy: -28.823
where: short stacking energy: -28.823
Base-Backbone interact. energy: -0.181
local terms energy: -50.166135
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -6.932
tors. eta vs tors. theta energy: 0.162
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: 7
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -73.812281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.812281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.812281 (E_RNA)
where:
Base-Base interactions energy: -27.831
where: short stacking energy: -22.109
Base-Backbone interact. energy: -0.148
local terms energy: -45.833292
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -8.103
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -0.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -226.527309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.527309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.527309 (E_RNA)
where:
Base-Base interactions energy: -144.251
where: short stacking energy: -72.225
Base-Backbone interact. energy: -0.067
local terms energy: -82.209289
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -18.364
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -21.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -227.953083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.953083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.953083 (E_RNA)
where:
Base-Base interactions energy: -152.200
where: short stacking energy: -70.943
Base-Backbone interact. energy: -0.002
local terms energy: -75.751245
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -21.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -215.091519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.091519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.091519 (E_RNA)
where:
Base-Base interactions energy: -147.192
where: short stacking energy: -70.489
Base-Backbone interact. energy: 0.775
local terms energy: -68.675041
where:
bonds (distance) C4'-P energy: -10.551
bonds (distance) P-C4' energy: -13.158
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -22.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -187.278967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.278967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.278967 (E_RNA)
where:
Base-Base interactions energy: -123.998
where: short stacking energy: -65.005
Base-Backbone interact. energy: -0.003
local terms energy: -63.278590
where:
bonds (distance) C4'-P energy: -5.630
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -9.083
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: 5, replica: 3
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -173.594895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.594895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.594895 (E_RNA)
where:
Base-Base interactions energy: -105.938
where: short stacking energy: -50.687
Base-Backbone interact. energy: -0.041
local terms energy: -67.616347
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -14.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -134.913702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.913702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.913702 (E_RNA)
where:
Base-Base interactions energy: -78.968
where: short stacking energy: -38.789
Base-Backbone interact. energy: -0.913
local terms energy: -55.032970
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -4.632
tors. eta vs tors. theta energy: -5.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -91.411628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.411628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.411628 (E_RNA)
where:
Base-Base interactions energy: -36.079
where: short stacking energy: -36.079
Base-Backbone interact. energy: -0.010
local terms energy: -55.322775
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -3.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -137.419374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.419374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.419374 (E_RNA)
where:
Base-Base interactions energy: -86.287
where: short stacking energy: -48.851
Base-Backbone interact. energy: -0.051
local terms energy: -51.081811
where:
bonds (distance) C4'-P energy: -7.408
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -5.024
tors. eta vs tors. theta energy: -10.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -83.765473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.765473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.765473 (E_RNA)
where:
Base-Base interactions energy: -26.737
where: short stacking energy: -25.938
Base-Backbone interact. energy: -0.032
local terms energy: -56.996418
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -16.658
flat angles C4'-P-C4' energy: -9.946
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -2.125
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: 7
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -82.471023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.471023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.471023 (E_RNA)
where:
Base-Base interactions energy: -32.632
where: short stacking energy: -23.988
Base-Backbone interact. energy: -0.419
local terms energy: -49.420531
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -11.417
flat angles C4'-P-C4' energy: -11.771
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -2.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -223.521688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.521688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.521688 (E_RNA)
where:
Base-Base interactions energy: -145.447
where: short stacking energy: -68.655
Base-Backbone interact. energy: -2.152
local terms energy: -75.922621
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -23.428
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: 8
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -213.060103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.060103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.060103 (E_RNA)
where:
Base-Base interactions energy: -133.215
where: short stacking energy: -58.147
Base-Backbone interact. energy: -0.618
local terms energy: -79.227154
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: -19.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -222.767958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.767958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.767958 (E_RNA)
where:
Base-Base interactions energy: -149.020
where: short stacking energy: -64.314
Base-Backbone interact. energy: -0.481
local terms energy: -73.267653
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -11.125
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -20.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -184.447549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.447549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.447549 (E_RNA)
where:
Base-Base interactions energy: -119.215
where: short stacking energy: -64.435
Base-Backbone interact. energy: -0.003
local terms energy: -65.228757
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -10.806
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -16.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -173.666382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.666382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.666382 (E_RNA)
where:
Base-Base interactions energy: -107.591
where: short stacking energy: -55.235
Base-Backbone interact. energy: -0.101
local terms energy: -65.973822
where:
bonds (distance) C4'-P energy: -9.383
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -17.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -155.225913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.225913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.225913 (E_RNA)
where:
Base-Base interactions energy: -87.471
where: short stacking energy: -44.159
Base-Backbone interact. energy: -0.416
local terms energy: -67.339597
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -10.527
flat angles P-C4'-P energy: -14.206
tors. eta vs tors. theta energy: -11.301
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: 7, replica: 6
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -94.302456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.302456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.302456 (E_RNA)
where:
Base-Base interactions energy: -38.323
where: short stacking energy: -38.163
Base-Backbone interact. energy: -0.141
local terms energy: -55.838039
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -8.357
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -10.868
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: 235
Temperature: 1.250000
Total energy: -131.994806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.994806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.994806 (E_RNA)
where:
Base-Base interactions energy: -81.878
where: short stacking energy: -36.588
Base-Backbone interact. energy: -0.115
local terms energy: -50.002032
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -0.689
tors. eta vs tors. theta energy: -5.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -88.026685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.026685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.026685 (E_RNA)
where:
Base-Base interactions energy: -41.418
where: short stacking energy: -36.589
Base-Backbone interact. energy: -0.080
local terms energy: -46.527815
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -8.175
flat angles P-C4'-P energy: -5.785
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: 7
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -102.192089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.192089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.192089 (E_RNA)
where:
Base-Base interactions energy: -42.228
where: short stacking energy: -35.683
Base-Backbone interact. energy: -0.045
local terms energy: -59.919502
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -9.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -223.954025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.954025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.954025 (E_RNA)
where:
Base-Base interactions energy: -150.221
where: short stacking energy: -61.091
Base-Backbone interact. energy: 0.237
local terms energy: -73.970273
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -12.581
tors. eta vs tors. theta energy: -20.741
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: 2, replica: 2
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -229.194410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.194410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.194410 (E_RNA)
where:
Base-Base interactions energy: -150.124
where: short stacking energy: -68.508
Base-Backbone interact. energy: -0.006
local terms energy: -79.064352
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -18.264
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -19.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -213.926392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.926392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.926392 (E_RNA)
where:
Base-Base interactions energy: -144.273
where: short stacking energy: -66.801
Base-Backbone interact. energy: -0.039
local terms energy: -69.614244
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -16.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -187.406262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.406262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.406262 (E_RNA)
where:
Base-Base interactions energy: -117.835
where: short stacking energy: -68.350
Base-Backbone interact. energy: 0.139
local terms energy: -69.710024
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -7.266
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: 10
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -176.906918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.906918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.906918 (E_RNA)
where:
Base-Base interactions energy: -113.188
where: short stacking energy: -54.992
Base-Backbone interact. energy: -0.746
local terms energy: -62.973581
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -5.860
tors. eta vs tors. theta energy: -12.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -174.247725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.247725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.247725 (E_RNA)
where:
Base-Base interactions energy: -105.750
where: short stacking energy: -59.081
Base-Backbone interact. energy: 0.010
local terms energy: -68.507486
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -12.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -155.723475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.723475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.723475 (E_RNA)
where:
Base-Base interactions energy: -105.141
where: short stacking energy: -45.753
Base-Backbone interact. energy: -0.024
local terms energy: -50.557973
where:
bonds (distance) C4'-P energy: -8.683
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -6.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -90.841909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.841909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.841909 (E_RNA)
where:
Base-Base interactions energy: -30.944
where: short stacking energy: -29.355
Base-Backbone interact. energy: -0.098
local terms energy: -59.799603
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: 2.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -82.029484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.029484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.029484 (E_RNA)
where:
Base-Base interactions energy: -28.517
where: short stacking energy: -26.565
Base-Backbone interact. energy: -0.269
local terms energy: -53.243823
where:
bonds (distance) C4'-P energy: -8.413
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -12.466
tors. eta vs tors. theta energy: -1.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -81.482821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.482821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.482821 (E_RNA)
where:
Base-Base interactions energy: -40.382
where: short stacking energy: -14.841
Base-Backbone interact. energy: -1.436
local terms energy: -39.664198
where:
bonds (distance) C4'-P energy: -10.831
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -6.219
tors. eta vs tors. theta energy: 5.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -238.838930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.838930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.838930 (E_RNA)
where:
Base-Base interactions energy: -160.655
where: short stacking energy: -71.383
Base-Backbone interact. energy: -0.013
local terms energy: -78.170701
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -17.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -218.562016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.562016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.562016 (E_RNA)
where:
Base-Base interactions energy: -143.792
where: short stacking energy: -70.188
Base-Backbone interact. energy: -0.537
local terms energy: -74.233709
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -12.086
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -21.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -217.003138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.003138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.003138 (E_RNA)
where:
Base-Base interactions energy: -142.047
where: short stacking energy: -68.579
Base-Backbone interact. energy: -0.039
local terms energy: -74.916893
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -18.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -184.416801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.416801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.416801 (E_RNA)
where:
Base-Base interactions energy: -121.049
where: short stacking energy: -54.417
Base-Backbone interact. energy: -0.233
local terms energy: -63.134198
where:
bonds (distance) C4'-P energy: -10.527
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -12.682
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: 5, replica: 3
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -178.429300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.429300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.429300 (E_RNA)
where:
Base-Base interactions energy: -112.195
where: short stacking energy: -55.958
Base-Backbone interact. energy: -0.953
local terms energy: -65.280781
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -6.638
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -14.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -155.782889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.782889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.782889 (E_RNA)
where:
Base-Base interactions energy: -94.320
where: short stacking energy: -49.560
Base-Backbone interact. energy: -0.006
local terms energy: -61.457127
where:
bonds (distance) C4'-P energy: -9.802
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -12.343
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: 9
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -162.455811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.455811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.455811 (E_RNA)
where:
Base-Base interactions energy: -101.910
where: short stacking energy: -48.992
Base-Backbone interact. energy: -0.374
local terms energy: -60.171292
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -9.520
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -13.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -92.152274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.152274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.152274 (E_RNA)
where:
Base-Base interactions energy: -43.490
where: short stacking energy: -35.486
Base-Backbone interact. energy: -0.067
local terms energy: -48.595280
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -11.325
flat angles P-C4'-P energy: -7.866
tors. eta vs tors. theta energy: -4.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -85.718012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.718012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.718012 (E_RNA)
where:
Base-Base interactions energy: -36.227
where: short stacking energy: -36.099
Base-Backbone interact. energy: -0.047
local terms energy: -49.443904
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -6.520
tors. eta vs tors. theta energy: -5.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -71.803982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.803982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.803982 (E_RNA)
where:
Base-Base interactions energy: -26.209
where: short stacking energy: -26.209
Base-Backbone interact. energy: -0.185
local terms energy: -45.410746
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: 1.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -226.322986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.322986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.322986 (E_RNA)
where:
Base-Base interactions energy: -145.883
where: short stacking energy: -71.442
Base-Backbone interact. energy: -0.011
local terms energy: -80.429249
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -22.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -219.098682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.098682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.098682 (E_RNA)
where:
Base-Base interactions energy: -147.579
where: short stacking energy: -72.508
Base-Backbone interact. energy: -0.007
local terms energy: -71.512638
where:
bonds (distance) C4'-P energy: -10.527
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -17.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -215.823346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.823346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.823346 (E_RNA)
where:
Base-Base interactions energy: -136.671
where: short stacking energy: -74.342
Base-Backbone interact. energy: -0.001
local terms energy: -79.151504
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -22.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -179.227447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.227447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.227447 (E_RNA)
where:
Base-Base interactions energy: -113.967
where: short stacking energy: -68.119
Base-Backbone interact. energy: -0.013
local terms energy: -65.246911
where:
bonds (distance) C4'-P energy: -8.982
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -8.032
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: 5, replica: 3
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -174.395766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.395766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.395766 (E_RNA)
where:
Base-Base interactions energy: -109.910
where: short stacking energy: -54.036
Base-Backbone interact. energy: -0.854
local terms energy: -63.631878
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -10.217
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: 6, replica: 4
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -171.178552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.178552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.178552 (E_RNA)
where:
Base-Base interactions energy: -116.358
where: short stacking energy: -49.156
Base-Backbone interact. energy: -0.118
local terms energy: -54.702629
where:
bonds (distance) C4'-P energy: -11.074
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -8.151
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: 7, replica: 9
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -156.516161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.516161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.516161 (E_RNA)
where:
Base-Base interactions energy: -89.722
where: short stacking energy: -44.741
Base-Backbone interact. energy: 0.445
local terms energy: -67.239260
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -14.108
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -8.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -96.324426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.324426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.324426 (E_RNA)
where:
Base-Base interactions energy: -44.084
where: short stacking energy: -28.881
Base-Backbone interact. energy: -0.398
local terms energy: -51.842424
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -5.634
tors. eta vs tors. theta energy: -2.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -86.647563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.647563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.647563 (E_RNA)
where:
Base-Base interactions energy: -32.920
where: short stacking energy: -30.784
Base-Backbone interact. energy: -0.437
local terms energy: -53.290638
where:
bonds (distance) C4'-P energy: -11.580
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -2.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -79.725085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.725085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.725085 (E_RNA)
where:
Base-Base interactions energy: -26.760
where: short stacking energy: -26.547
Base-Backbone interact. energy: -0.050
local terms energy: -52.915580
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -7.380
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -8.166
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: 8
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -222.019704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.019704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.019704 (E_RNA)
where:
Base-Base interactions energy: -152.318
where: short stacking energy: -66.540
Base-Backbone interact. energy: 0.606
local terms energy: -70.307770
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -18.741
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: 2, replica: 2
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -219.933740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.933740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.933740 (E_RNA)
where:
Base-Base interactions energy: -140.222
where: short stacking energy: -71.615
Base-Backbone interact. energy: -0.029
local terms energy: -79.683129
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -13.354
tors. eta vs tors. theta energy: -18.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -221.772153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.772153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.772153 (E_RNA)
where:
Base-Base interactions energy: -148.894
where: short stacking energy: -71.213
Base-Backbone interact. energy: -0.001
local terms energy: -72.876484
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -17.469
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -17.674
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: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -175.360115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.360115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.360115 (E_RNA)
where:
Base-Base interactions energy: -104.454
where: short stacking energy: -58.934
Base-Backbone interact. energy: -0.112
local terms energy: -70.794628
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -14.652
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -14.530
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: 5, replica: 10
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -164.532685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.532685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.532685 (E_RNA)
where:
Base-Base interactions energy: -103.991
where: short stacking energy: -58.723
Base-Backbone interact. energy: -0.005
local terms energy: -60.536774
where:
bonds (distance) C4'-P energy: -8.167
bonds (distance) P-C4' energy: -10.082
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -18.745
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: 239
Temperature: 1.150000
Total energy: -183.153833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.153833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.153833 (E_RNA)
where:
Base-Base interactions energy: -112.880
where: short stacking energy: -61.014
Base-Backbone interact. energy: -0.290
local terms energy: -69.984010
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -11.621
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: 7, replica: 4
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -177.196245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.196245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.196245 (E_RNA)
where:
Base-Base interactions energy: -110.800
where: short stacking energy: -48.342
Base-Backbone interact. energy: -0.017
local terms energy: -66.379724
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -11.767
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -11.405
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: 8, replica: 1
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -78.118507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.118507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.118507 (E_RNA)
where:
Base-Base interactions energy: -27.326
where: short stacking energy: -27.326
Base-Backbone interact. energy: -0.350
local terms energy: -50.441802
where:
bonds (distance) C4'-P energy: -9.486
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: 2.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -88.049926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.049926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.049926 (E_RNA)
where:
Base-Base interactions energy: -23.271
where: short stacking energy: -22.819
Base-Backbone interact. energy: -0.135
local terms energy: -64.643703
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -9.359
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: 6
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -82.261385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.261385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.261385 (E_RNA)
where:
Base-Base interactions energy: -24.629
where: short stacking energy: -25.229
Base-Backbone interact. energy: -0.088
local terms energy: -57.544377
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -18.028
flat angles C4'-P-C4' energy: -10.962
flat angles P-C4'-P energy: -4.918
tors. eta vs tors. theta energy: -7.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -224.379624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.379624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.379624 (E_RNA)
where:
Base-Base interactions energy: -155.843
where: short stacking energy: -57.243
Base-Backbone interact. energy: 0.172
local terms energy: -68.708572
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -13.849
tors. eta vs tors. theta energy: -13.783
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: 2, replica: 2
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -220.756125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.756125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.756125 (E_RNA)
where:
Base-Base interactions energy: -143.256
where: short stacking energy: -73.485
Base-Backbone interact. energy: -0.003
local terms energy: -77.497700
where:
bonds (distance) C4'-P energy: -17.567
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -21.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -198.094244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.094244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.094244 (E_RNA)
where:
Base-Base interactions energy: -129.832
where: short stacking energy: -56.165
Base-Backbone interact. energy: -0.716
local terms energy: -67.546985
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -6.621
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: 4, replica: 3
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -167.061437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.061437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.061437 (E_RNA)
where:
Base-Base interactions energy: -104.482
where: short stacking energy: -51.262
Base-Backbone interact. energy: 0.059
local terms energy: -62.638192
where:
bonds (distance) C4'-P energy: -8.307
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -10.992
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: 5, replica: 9
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -170.962827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.962827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.962827 (E_RNA)
where:
Base-Base interactions energy: -103.860
where: short stacking energy: -46.160
Base-Backbone interact. energy: -0.093
local terms energy: -67.009536
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -10.902
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: 10
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -168.017571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.017571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.017571 (E_RNA)
where:
Base-Base interactions energy: -106.917
where: short stacking energy: -49.192
Base-Backbone interact. energy: -0.050
local terms energy: -61.049827
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -11.176
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -11.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -153.026513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.026513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.026513 (E_RNA)
where:
Base-Base interactions energy: -93.743
where: short stacking energy: -41.202
Base-Backbone interact. energy: -0.068
local terms energy: -59.215138
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -13.605
flat angles C4'-P-C4' energy: -11.543
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -11.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -82.188788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.188788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.188788 (E_RNA)
where:
Base-Base interactions energy: -30.911
where: short stacking energy: -19.511
Base-Backbone interact. energy: 0.883
local terms energy: -52.160455
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -7.926
tors. eta vs tors. theta energy: -2.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -85.709811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.709811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.709811 (E_RNA)
where:
Base-Base interactions energy: -38.960
where: short stacking energy: -17.299
Base-Backbone interact. energy: -0.248
local terms energy: -46.501644
where:
bonds (distance) C4'-P energy: -9.916
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -6.633
tors. eta vs tors. theta energy: 0.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -81.675388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.675388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.675388 (E_RNA)
where:
Base-Base interactions energy: -32.450
where: short stacking energy: -29.656
Base-Backbone interact. energy: -0.128
local terms energy: -49.097701
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -8.690
flat angles P-C4'-P energy: -4.583
tors. eta vs tors. theta energy: -4.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -222.144036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.144036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.144036 (E_RNA)
where:
Base-Base interactions energy: -150.406
where: short stacking energy: -56.223
Base-Backbone interact. energy: -0.230
local terms energy: -71.507156
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -17.469
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -14.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -201.887081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.887081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.887081 (E_RNA)
where:
Base-Base interactions energy: -135.900
where: short stacking energy: -63.285
Base-Backbone interact. energy: -0.181
local terms energy: -65.806131
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -7.876
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: 3, replica: 2
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -217.983836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.983836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.983836 (E_RNA)
where:
Base-Base interactions energy: -142.131
where: short stacking energy: -61.258
Base-Backbone interact. energy: -0.003
local terms energy: -75.849370
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -20.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -155.471930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.471930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.471930 (E_RNA)
where:
Base-Base interactions energy: -94.478
where: short stacking energy: -47.577
Base-Backbone interact. energy: 0.165
local terms energy: -61.158377
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -18.338
flat angles P-C4'-P energy: -9.626
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: 5, replica: 9
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -146.084028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.084028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.084028 (E_RNA)
where:
Base-Base interactions energy: -92.681
where: short stacking energy: -46.385
Base-Backbone interact. energy: -0.312
local terms energy: -53.091196
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -4.781
tors. eta vs tors. theta energy: -8.084
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: 241
Temperature: 1.150000
Total energy: -155.624335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.624335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.624335 (E_RNA)
where:
Base-Base interactions energy: -97.456
where: short stacking energy: -47.830
Base-Backbone interact. energy: -0.016
local terms energy: -58.151941
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -7.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -152.925320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.925320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.925320 (E_RNA)
where:
Base-Base interactions energy: -92.598
where: short stacking energy: -45.606
Base-Backbone interact. energy: -0.008
local terms energy: -60.319046
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -8.018
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -12.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -93.437916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.437916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.437916 (E_RNA)
where:
Base-Base interactions energy: -33.387
where: short stacking energy: -30.933
Base-Backbone interact. energy: -0.380
local terms energy: -59.670772
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -10.298
flat angles P-C4'-P energy: -13.096
tors. eta vs tors. theta energy: -4.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -92.502225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.502225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.502225 (E_RNA)
where:
Base-Base interactions energy: -35.368
where: short stacking energy: -35.368
Base-Backbone interact. energy: 0.775
local terms energy: -57.909831
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -9.540
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -9.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -77.933322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.933322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.933322 (E_RNA)
where:
Base-Base interactions energy: -26.822
where: short stacking energy: -26.080
Base-Backbone interact. energy: -0.042
local terms energy: -51.068945
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -7.429
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -5.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -223.652775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.652775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.652775 (E_RNA)
where:
Base-Base interactions energy: -156.404
where: short stacking energy: -58.589
Base-Backbone interact. energy: -0.012
local terms energy: -67.236926
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -15.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -212.823840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.823840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.823840 (E_RNA)
where:
Base-Base interactions energy: -135.805
where: short stacking energy: -63.205
Base-Backbone interact. energy: -0.005
local terms energy: -77.013731
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -19.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -217.138170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.138170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.138170 (E_RNA)
where:
Base-Base interactions energy: -135.429
where: short stacking energy: -61.217
Base-Backbone interact. energy: -0.653
local terms energy: -81.055649
where:
bonds (distance) C4'-P energy: -17.004
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -20.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -163.146382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.146382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.146382 (E_RNA)
where:
Base-Base interactions energy: -99.663
where: short stacking energy: -48.432
Base-Backbone interact. energy: -0.011
local terms energy: -63.473313
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -10.233
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -9.735
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: 5, replica: 4
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -148.813803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.813803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.813803 (E_RNA)
where:
Base-Base interactions energy: -91.019
where: short stacking energy: -38.008
Base-Backbone interact. energy: -0.373
local terms energy: -57.422002
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -6.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -157.717210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.717210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.717210 (E_RNA)
where:
Base-Base interactions energy: -101.147
where: short stacking energy: -48.208
Base-Backbone interact. energy: 0.933
local terms energy: -57.503513
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -12.019
flat angles P-C4'-P energy: -6.139
tors. eta vs tors. theta energy: -11.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -93.403679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.403679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.403679 (E_RNA)
where:
Base-Base interactions energy: -32.233
where: short stacking energy: -32.233
Base-Backbone interact. energy: -0.139
local terms energy: -61.032262
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -9.899
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -13.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -111.415559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.415559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.415559 (E_RNA)
where:
Base-Base interactions energy: -64.399
where: short stacking energy: -39.307
Base-Backbone interact. energy: -0.067
local terms energy: -46.948974
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -10.682
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -4.242
tors. eta vs tors. theta energy: -6.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -83.319420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.319420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.319420 (E_RNA)
where:
Base-Base interactions energy: -28.575
where: short stacking energy: -23.201
Base-Backbone interact. energy: -0.118
local terms energy: -54.626373
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -5.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -80.882535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.882535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.882535 (E_RNA)
where:
Base-Base interactions energy: -39.380
where: short stacking energy: -25.115
Base-Backbone interact. energy: -0.986
local terms energy: -40.515878
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -10.640
flat angles C4'-P-C4' energy: -8.703
flat angles P-C4'-P energy: -6.330
tors. eta vs tors. theta energy: -3.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -218.728416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.728416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.728416 (E_RNA)
where:
Base-Base interactions energy: -143.952
where: short stacking energy: -72.516
Base-Backbone interact. energy: -0.018
local terms energy: -74.758600
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: -20.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -218.698342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.698342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.698342 (E_RNA)
where:
Base-Base interactions energy: -144.539
where: short stacking energy: -68.113
Base-Backbone interact. energy: -1.231
local terms energy: -72.927509
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -17.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -206.371649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.371649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.371649 (E_RNA)
where:
Base-Base interactions energy: -132.334
where: short stacking energy: -65.805
Base-Backbone interact. energy: -0.102
local terms energy: -73.935124
where:
bonds (distance) C4'-P energy: -15.768
bonds (distance) P-C4' energy: -12.276
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -20.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -186.988071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.988071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.988071 (E_RNA)
where:
Base-Base interactions energy: -107.941
where: short stacking energy: -61.005
Base-Backbone interact. energy: -0.598
local terms energy: -78.449328
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -11.790
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -23.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -154.093870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.093870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.093870 (E_RNA)
where:
Base-Base interactions energy: -88.225
where: short stacking energy: -50.336
Base-Backbone interact. energy: -0.039
local terms energy: -65.830464
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -12.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -164.550716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.550716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.550716 (E_RNA)
where:
Base-Base interactions energy: -105.947
where: short stacking energy: -45.996
Base-Backbone interact. energy: -0.116
local terms energy: -58.487882
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -10.798
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: -11.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -103.221321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.221321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.221321 (E_RNA)
where:
Base-Base interactions energy: -41.391
where: short stacking energy: -41.391
Base-Backbone interact. energy: -0.898
local terms energy: -60.931732
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -10.900
flat angles P-C4'-P energy: -12.726
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: 8, replica: 7
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -136.159801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.159801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.159801 (E_RNA)
where:
Base-Base interactions energy: -74.935
where: short stacking energy: -33.789
Base-Backbone interact. energy: -0.840
local terms energy: -60.385773
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -5.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -89.618951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.618951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.618951 (E_RNA)
where:
Base-Base interactions energy: -37.296
where: short stacking energy: -37.221
Base-Backbone interact. energy: -0.166
local terms energy: -52.157019
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -14.326
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -2.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -85.946535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.946535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.946535 (E_RNA)
where:
Base-Base interactions energy: -30.355
where: short stacking energy: -29.587
Base-Backbone interact. energy: -1.819
local terms energy: -53.772490
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -10.392
flat angles P-C4'-P energy: -8.188
tors. eta vs tors. theta energy: -5.755
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: 244
Temperature: 0.900000
Total energy: -227.882358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.882358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.882358 (E_RNA)
where:
Base-Base interactions energy: -151.569
where: short stacking energy: -66.583
Base-Backbone interact. energy: -0.309
local terms energy: -76.004202
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -20.175
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: 8
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -217.700465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.700465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.700465 (E_RNA)
where:
Base-Base interactions energy: -139.432
where: short stacking energy: -68.273
Base-Backbone interact. energy: -1.944
local terms energy: -76.324420
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -18.705
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: 3
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -184.752705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.752705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.752705 (E_RNA)
where:
Base-Base interactions energy: -110.778
where: short stacking energy: -51.489
Base-Backbone interact. energy: -0.132
local terms energy: -73.842970
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -12.343
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: 4, replica: 5
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -197.500161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.500161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.500161 (E_RNA)
where:
Base-Base interactions energy: -128.386
where: short stacking energy: -63.756
Base-Backbone interact. energy: -0.005
local terms energy: -69.109576
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -10.764
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -15.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -155.636423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.636423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.636423 (E_RNA)
where:
Base-Base interactions energy: -95.789
where: short stacking energy: -44.375
Base-Backbone interact. energy: -0.325
local terms energy: -59.522384
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -4.790
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: 6, replica: 9
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -158.062443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.062443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.062443 (E_RNA)
where:
Base-Base interactions energy: -95.029
where: short stacking energy: -44.191
Base-Backbone interact. energy: -0.101
local terms energy: -62.932842
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -10.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -100.345950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.345950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.345950 (E_RNA)
where:
Base-Base interactions energy: -40.780
where: short stacking energy: -40.780
Base-Backbone interact. energy: -0.099
local terms energy: -59.466718
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -6.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -110.936926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.936926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.936926 (E_RNA)
where:
Base-Base interactions energy: -57.292
where: short stacking energy: -32.858
Base-Backbone interact. energy: -0.101
local terms energy: -53.543934
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -10.037
flat angles C4'-P-C4' energy: -10.819
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -8.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -85.675715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.675715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.675715 (E_RNA)
where:
Base-Base interactions energy: -30.957
where: short stacking energy: -30.957
Base-Backbone interact. energy: -0.094
local terms energy: -54.624358
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -2.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -71.945584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.945584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.945584 (E_RNA)
where:
Base-Base interactions energy: -21.870
where: short stacking energy: -16.270
Base-Backbone interact. energy: -0.132
local terms energy: -49.942992
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: 2.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -220.253779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.253779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.253779 (E_RNA)
where:
Base-Base interactions energy: -146.359
where: short stacking energy: -74.381
Base-Backbone interact. energy: -0.025
local terms energy: -73.869881
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -21.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -191.961206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.961206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.961206 (E_RNA)
where:
Base-Base interactions energy: -122.739
where: short stacking energy: -50.993
Base-Backbone interact. energy: -0.095
local terms energy: -69.126801
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -3.385
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: 3, replica: 8
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -217.723844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.723844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.723844 (E_RNA)
where:
Base-Base interactions energy: -139.053
where: short stacking energy: -69.436
Base-Backbone interact. energy: -1.053
local terms energy: -77.617809
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -20.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -201.758114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.758114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.758114 (E_RNA)
where:
Base-Base interactions energy: -131.409
where: short stacking energy: -63.644
Base-Backbone interact. energy: -0.022
local terms energy: -70.327297
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -6.980
tors. eta vs tors. theta energy: -20.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -151.552280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.552280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.552280 (E_RNA)
where:
Base-Base interactions energy: -85.725
where: short stacking energy: -46.130
Base-Backbone interact. energy: -1.322
local terms energy: -64.504732
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -8.200
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: 9
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -167.577186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.577186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.577186 (E_RNA)
where:
Base-Base interactions energy: -99.544
where: short stacking energy: -52.027
Base-Backbone interact. energy: -0.442
local terms energy: -67.590640
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -10.646
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: 7
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -82.005672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.005672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.005672 (E_RNA)
where:
Base-Base interactions energy: -35.121
where: short stacking energy: -29.796
Base-Backbone interact. energy: -0.136
local terms energy: -46.748433
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -8.462
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -2.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -88.748999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.748999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.748999 (E_RNA)
where:
Base-Base interactions energy: -41.571
where: short stacking energy: -38.022
Base-Backbone interact. energy: 2.025
local terms energy: -49.202699
where:
bonds (distance) C4'-P energy: -9.804
bonds (distance) P-C4' energy: -15.041
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -3.765
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: 6
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -84.996002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.996002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.996002 (E_RNA)
where:
Base-Base interactions energy: -37.139
where: short stacking energy: -33.815
Base-Backbone interact. energy: -0.327
local terms energy: -47.530271
where:
bonds (distance) C4'-P energy: -8.925
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -12.283
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: -5.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -83.044297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.044297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.044297 (E_RNA)
where:
Base-Base interactions energy: -30.354
where: short stacking energy: -30.354
Base-Backbone interact. energy: 0.684
local terms energy: -53.374185
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -11.075
flat angles P-C4'-P energy: -5.789
tors. eta vs tors. theta energy: -6.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -226.969179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.969179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.969179 (E_RNA)
where:
Base-Base interactions energy: -150.384
where: short stacking energy: -76.488
Base-Backbone interact. energy: -0.247
local terms energy: -76.337520
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -11.452
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -22.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -191.662086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.662086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.662086 (E_RNA)
where:
Base-Base interactions energy: -117.336
where: short stacking energy: -72.120
Base-Backbone interact. energy: -0.125
local terms energy: -74.200542
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -14.122
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -17.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -223.765358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.765358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.765358 (E_RNA)
where:
Base-Base interactions energy: -138.254
where: short stacking energy: -60.847
Base-Backbone interact. energy: -1.591
local terms energy: -83.920697
where:
bonds (distance) C4'-P energy: -17.779
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -20.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -201.321534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.321534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.321534 (E_RNA)
where:
Base-Base interactions energy: -137.733
where: short stacking energy: -69.135
Base-Backbone interact. energy: -0.217
local terms energy: -63.371431
where:
bonds (distance) C4'-P energy: -10.208
bonds (distance) P-C4' energy: -10.335
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -17.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -174.833373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.833373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.833373 (E_RNA)
where:
Base-Base interactions energy: -106.160
where: short stacking energy: -52.995
Base-Backbone interact. energy: -0.102
local terms energy: -68.571873
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -18.947
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -12.562
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: 4
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -141.303981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.303981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.303981 (E_RNA)
where:
Base-Base interactions energy: -84.897
where: short stacking energy: -41.503
Base-Backbone interact. energy: -0.302
local terms energy: -56.104793
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -9.968
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -8.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -92.886135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.886135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.886135 (E_RNA)
where:
Base-Base interactions energy: -40.663
where: short stacking energy: -29.869
Base-Backbone interact. energy: -0.038
local terms energy: -52.185269
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -10.250
flat angles P-C4'-P energy: -5.776
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: 8, replica: 7
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -114.611258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.611258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.611258 (E_RNA)
where:
Base-Base interactions energy: -63.331
where: short stacking energy: -21.754
Base-Backbone interact. energy: -0.571
local terms energy: -50.708527
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -1.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -81.927699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.927699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.927699 (E_RNA)
where:
Base-Base interactions energy: -32.291
where: short stacking energy: -26.523
Base-Backbone interact. energy: -0.207
local terms energy: -49.429444
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -10.871
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -3.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -77.198835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.198835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.198835 (E_RNA)
where:
Base-Base interactions energy: -17.470
where: short stacking energy: -15.861
Base-Backbone interact. energy: 0.561
local terms energy: -60.289923
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -1.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -229.282497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.282497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.282497 (E_RNA)
where:
Base-Base interactions energy: -147.225
where: short stacking energy: -72.430
Base-Backbone interact. energy: -0.012
local terms energy: -82.045370
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -13.409
tors. eta vs tors. theta energy: -21.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -224.597787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.597787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.597787 (E_RNA)
where:
Base-Base interactions energy: -143.546
where: short stacking energy: -57.767
Base-Backbone interact. energy: -1.189
local terms energy: -79.862759
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -22.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -183.379565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.379565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.379565 (E_RNA)
where:
Base-Base interactions energy: -117.514
where: short stacking energy: -61.458
Base-Backbone interact. energy: -0.067
local terms energy: -65.798835
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -11.444
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: 4, replica: 5
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -198.624458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.624458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.624458 (E_RNA)
where:
Base-Base interactions energy: -121.105
where: short stacking energy: -64.114
Base-Backbone interact. energy: -0.534
local terms energy: -76.986306
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -17.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -166.306266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.306266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.306266 (E_RNA)
where:
Base-Base interactions energy: -103.682
where: short stacking energy: -50.453
Base-Backbone interact. energy: -0.153
local terms energy: -62.471699
where:
bonds (distance) C4'-P energy: -11.116
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -10.663
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: 6, replica: 1
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -102.191522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.191522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.191522 (E_RNA)
where:
Base-Base interactions energy: -46.529
where: short stacking energy: -39.478
Base-Backbone interact. energy: -0.195
local terms energy: -55.468042
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -6.682
tors. eta vs tors. theta energy: -7.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -114.646090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.646090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.646090 (E_RNA)
where:
Base-Base interactions energy: -58.215
where: short stacking energy: -32.279
Base-Backbone interact. energy: -0.067
local terms energy: -56.363809
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -10.287
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -4.126
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: 7
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -126.027267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.027267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.027267 (E_RNA)
where:
Base-Base interactions energy: -71.350
where: short stacking energy: -32.238
Base-Backbone interact. energy: -1.434
local terms energy: -53.242818
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: 0.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -87.373598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.373598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.373598 (E_RNA)
where:
Base-Base interactions energy: -37.761
where: short stacking energy: -34.596
Base-Backbone interact. energy: -0.269
local terms energy: -49.343182
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -10.767
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: -2.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -75.394931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.394931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.394931 (E_RNA)
where:
Base-Base interactions energy: -23.855
where: short stacking energy: -23.855
Base-Backbone interact. energy: -0.295
local terms energy: -51.244946
where:
bonds (distance) C4'-P energy: -10.663
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -4.889
tors. eta vs tors. theta energy: -4.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -224.969907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.969907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.969907 (E_RNA)
where:
Base-Base interactions energy: -144.319
where: short stacking energy: -72.855
Base-Backbone interact. energy: -0.956
local terms energy: -79.695061
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -20.524
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: 2
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -223.151087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.151087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.151087 (E_RNA)
where:
Base-Base interactions energy: -150.337
where: short stacking energy: -66.727
Base-Backbone interact. energy: -0.021
local terms energy: -72.792972
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -18.096
flat angles P-C4'-P energy: -7.657
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: 3, replica: 3
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -184.484626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.484626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.484626 (E_RNA)
where:
Base-Base interactions energy: -111.731
where: short stacking energy: -63.384
Base-Backbone interact. energy: -0.491
local terms energy: -72.262784
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -9.509
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: 4, replica: 5
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -203.652106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.652106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.652106 (E_RNA)
where:
Base-Base interactions energy: -132.549
where: short stacking energy: -56.667
Base-Backbone interact. energy: -0.009
local terms energy: -71.094284
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -12.179
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: 5, replica: 9
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -169.920118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.920118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.920118 (E_RNA)
where:
Base-Base interactions energy: -101.451
where: short stacking energy: -56.554
Base-Backbone interact. energy: 0.633
local terms energy: -69.101704
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -18.152
flat angles P-C4'-P energy: -10.162
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: 6, replica: 1
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -105.388236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.388236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.388236 (E_RNA)
where:
Base-Base interactions energy: -51.409
where: short stacking energy: -32.696
Base-Backbone interact. energy: -0.805
local terms energy: -53.174522
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -7.870
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -8.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -137.511986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.511986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.511986 (E_RNA)
where:
Base-Base interactions energy: -79.884
where: short stacking energy: -36.785
Base-Backbone interact. energy: -0.036
local terms energy: -57.591203
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -12.480
flat angles C4'-P-C4' energy: -10.615
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -11.069
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: 4
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -78.633795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.633795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.633795 (E_RNA)
where:
Base-Base interactions energy: -30.048
where: short stacking energy: -29.317
Base-Backbone interact. energy: -0.983
local terms energy: -47.603331
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -3.073
tors. eta vs tors. theta energy: -7.059
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: 10
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -83.297878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.297878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.297878 (E_RNA)
where:
Base-Base interactions energy: -32.235
where: short stacking energy: -29.985
Base-Backbone interact. energy: -0.074
local terms energy: -50.989306
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -4.873
tors. eta vs tors. theta energy: -4.912
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: 6
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -78.714716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.714716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.714716 (E_RNA)
where:
Base-Base interactions energy: -30.109
where: short stacking energy: -30.109
Base-Backbone interact. energy: -0.119
local terms energy: -48.486133
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -8.922
flat angles P-C4'-P energy: -8.997
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: 8
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -227.027248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.027248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.027248 (E_RNA)
where:
Base-Base interactions energy: -145.909
where: short stacking energy: -70.880
Base-Backbone interact. energy: -0.002
local terms energy: -81.116001
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -22.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -200.780329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.780329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.780329 (E_RNA)
where:
Base-Base interactions energy: -128.012
where: short stacking energy: -68.442
Base-Backbone interact. energy: -2.065
local terms energy: -70.703316
where:
bonds (distance) C4'-P energy: -10.266
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -12.090
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: 2
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -220.605524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.605524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.605524 (E_RNA)
where:
Base-Base interactions energy: -144.872
where: short stacking energy: -74.701
Base-Backbone interact. energy: -0.019
local terms energy: -75.715177
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -23.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -206.916627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.916627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.916627 (E_RNA)
where:
Base-Base interactions energy: -136.924
where: short stacking energy: -60.062
Base-Backbone interact. energy: -0.004
local terms energy: -69.989371
where:
bonds (distance) C4'-P energy: -10.846
bonds (distance) P-C4' energy: -11.832
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -21.104
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: 9
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -157.449321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.449321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.449321 (E_RNA)
where:
Base-Base interactions energy: -102.521
where: short stacking energy: -48.050
Base-Backbone interact. energy: -0.108
local terms energy: -54.820687
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -9.477
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -8.059
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: 6, replica: 7
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -138.767390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.767390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.767390 (E_RNA)
where:
Base-Base interactions energy: -81.671
where: short stacking energy: -39.674
Base-Backbone interact. energy: -0.496
local terms energy: -56.600846
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -7.819
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: 7, replica: 1
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -100.505094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.505094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.505094 (E_RNA)
where:
Base-Base interactions energy: -43.245
where: short stacking energy: -28.764
Base-Backbone interact. energy: -0.632
local terms energy: -56.627907
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -6.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -106.852640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.852640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.852640 (E_RNA)
where:
Base-Base interactions energy: -60.261
where: short stacking energy: -34.165
Base-Backbone interact. energy: -0.261
local terms energy: -46.331100
where:
bonds (distance) C4'-P energy: -11.032
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -9.659
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: 4
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -83.988325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.988325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.988325 (E_RNA)
where:
Base-Base interactions energy: -36.368
where: short stacking energy: -30.821
Base-Backbone interact. energy: -0.072
local terms energy: -47.549119
where:
bonds (distance) C4'-P energy: -1.210
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -10.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -76.853003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.853003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.853003 (E_RNA)
where:
Base-Base interactions energy: -27.045
where: short stacking energy: -25.448
Base-Backbone interact. energy: 0.133
local terms energy: -49.940755
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -3.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -225.950121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.950121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.950121 (E_RNA)
where:
Base-Base interactions energy: -148.643
where: short stacking energy: -71.021
Base-Backbone interact. energy: -0.020
local terms energy: -77.286708
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -18.346
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -20.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -185.756018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.756018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.756018 (E_RNA)
where:
Base-Base interactions energy: -113.204
where: short stacking energy: -66.167
Base-Backbone interact. energy: -0.028
local terms energy: -72.523504
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -15.520
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -9.709
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: 3, replica: 5
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -202.402993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.402993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.402993 (E_RNA)
where:
Base-Base interactions energy: -131.622
where: short stacking energy: -61.091
Base-Backbone interact. energy: -0.117
local terms energy: -70.664147
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -12.497
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -19.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -212.562609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.562609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.562609 (E_RNA)
where:
Base-Base interactions energy: -142.582
where: short stacking energy: -53.489
Base-Backbone interact. energy: -0.091
local terms energy: -69.888864
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -13.324
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: 9
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -139.930658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.930658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.930658 (E_RNA)
where:
Base-Base interactions energy: -86.219
where: short stacking energy: -49.805
Base-Backbone interact. energy: -0.070
local terms energy: -53.641537
where:
bonds (distance) C4'-P energy: -10.655
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -8.181
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -13.349
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: 7
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -194.952672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.952672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.952672 (E_RNA)
where:
Base-Base interactions energy: -136.649
where: short stacking energy: -53.466
Base-Backbone interact. energy: -0.213
local terms energy: -58.091006
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -8.560
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: 7, replica: 10
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -99.110886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.110886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.110886 (E_RNA)
where:
Base-Base interactions energy: -47.614
where: short stacking energy: -30.746
Base-Backbone interact. energy: 0.349
local terms energy: -51.846564
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -3.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -99.640031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.640031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.640031 (E_RNA)
where:
Base-Base interactions energy: -41.520
where: short stacking energy: -26.107
Base-Backbone interact. energy: -0.833
local terms energy: -57.287503
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -10.518
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: 9, replica: 6
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -93.659608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.659608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.659608 (E_RNA)
where:
Base-Base interactions energy: -53.409
where: short stacking energy: -39.667
Base-Backbone interact. energy: -0.355
local terms energy: -39.895934
where:
bonds (distance) C4'-P energy: -9.168
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -8.256
flat angles P-C4'-P energy: -0.687
tors. eta vs tors. theta energy: -8.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -76.841856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.841856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.841856 (E_RNA)
where:
Base-Base interactions energy: -30.222
where: short stacking energy: -22.382
Base-Backbone interact. energy: -0.066
local terms energy: -46.554118
where:
bonds (distance) C4'-P energy: -9.715
bonds (distance) P-C4' energy: -12.545
flat angles C4'-P-C4' energy: -11.882
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -1.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -227.777124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.777124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.777124 (E_RNA)
where:
Base-Base interactions energy: -143.976
where: short stacking energy: -66.365
Base-Backbone interact. energy: -0.379
local terms energy: -83.422160
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -14.864
tors. eta vs tors. theta energy: -20.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -201.673933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.673933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.673933 (E_RNA)
where:
Base-Base interactions energy: -128.539
where: short stacking energy: -53.069
Base-Backbone interact. energy: -0.321
local terms energy: -72.814596
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -15.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -185.574024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.574024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.574024 (E_RNA)
where:
Base-Base interactions energy: -110.952
where: short stacking energy: -55.071
Base-Backbone interact. energy: -0.082
local terms energy: -74.540748
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -10.872
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: 4, replica: 2
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -213.116740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.116740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.116740 (E_RNA)
where:
Base-Base interactions energy: -148.558
where: short stacking energy: -54.205
Base-Backbone interact. energy: -0.671
local terms energy: -63.887676
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -8.741
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -15.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -177.951626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.951626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.951626 (E_RNA)
where:
Base-Base interactions energy: -110.624
where: short stacking energy: -55.770
Base-Backbone interact. energy: -0.312
local terms energy: -67.016171
where:
bonds (distance) C4'-P energy: -10.806
bonds (distance) P-C4' energy: -13.425
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -15.800
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: 6, replica: 7
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -182.127214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.127214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.127214 (E_RNA)
where:
Base-Base interactions energy: -123.799
where: short stacking energy: -43.552
Base-Backbone interact. energy: -0.853
local terms energy: -57.474415
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -5.938
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -10.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -125.783965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.783965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.783965 (E_RNA)
where:
Base-Base interactions energy: -70.370
where: short stacking energy: -32.809
Base-Backbone interact. energy: 0.597
local terms energy: -56.011366
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -5.917
tors. eta vs tors. theta energy: -1.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -87.194581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.194581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.194581 (E_RNA)
where:
Base-Base interactions energy: -40.665
where: short stacking energy: -37.533
Base-Backbone interact. energy: -0.135
local terms energy: -46.394631
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -11.452
flat angles C4'-P-C4' energy: -10.217
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -1.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -95.422163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.422163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.422163 (E_RNA)
where:
Base-Base interactions energy: -51.576
where: short stacking energy: -31.602
Base-Backbone interact. energy: 0.120
local terms energy: -43.966623
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -13.393
flat angles C4'-P-C4' energy: -11.055
flat angles P-C4'-P energy: -5.325
tors. eta vs tors. theta energy: -2.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -76.213841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.213841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.213841 (E_RNA)
where:
Base-Base interactions energy: -19.785
where: short stacking energy: -18.330
Base-Backbone interact. energy: 0.277
local terms energy: -56.705241
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -8.249
tors. eta vs tors. theta energy: -6.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -225.228456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.228456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.228456 (E_RNA)
where:
Base-Base interactions energy: -145.782
where: short stacking energy: -66.068
Base-Backbone interact. energy: -1.400
local terms energy: -78.046546
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -21.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -199.124992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.124992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.124992 (E_RNA)
where:
Base-Base interactions energy: -127.557
where: short stacking energy: -62.302
Base-Backbone interact. energy: -0.001
local terms energy: -71.566934
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -15.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -216.013138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.013138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.013138 (E_RNA)
where:
Base-Base interactions energy: -150.216
where: short stacking energy: -62.312
Base-Backbone interact. energy: -0.569
local terms energy: -65.227227
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -15.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -185.884932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.884932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.884932 (E_RNA)
where:
Base-Base interactions energy: -122.353
where: short stacking energy: -64.296
Base-Backbone interact. energy: -0.863
local terms energy: -62.669350
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -5.987
tors. eta vs tors. theta energy: -17.031
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: 7
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -179.769119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.769119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.769119 (E_RNA)
where:
Base-Base interactions energy: -123.941
where: short stacking energy: -47.880
Base-Backbone interact. energy: -0.188
local terms energy: -55.640525
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -7.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -174.706703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.706703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.706703 (E_RNA)
where:
Base-Base interactions energy: -120.660
where: short stacking energy: -58.317
Base-Backbone interact. energy: -0.322
local terms energy: -53.724964
where:
bonds (distance) C4'-P energy: -9.121
bonds (distance) P-C4' energy: -7.997
flat angles C4'-P-C4' energy: -11.730
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -13.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -133.992708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.992708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.992708 (E_RNA)
where:
Base-Base interactions energy: -70.786
where: short stacking energy: -29.397
Base-Backbone interact. energy: -0.884
local terms energy: -62.322885
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -10.882
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -9.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -102.445087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.445087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.445087 (E_RNA)
where:
Base-Base interactions energy: -47.615
where: short stacking energy: -25.943
Base-Backbone interact. energy: -0.431
local terms energy: -54.399277
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -11.922
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -4.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -87.412171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.412171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.412171 (E_RNA)
where:
Base-Base interactions energy: -39.340
where: short stacking energy: -35.457
Base-Backbone interact. energy: 3.121
local terms energy: -51.192922
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -13.059
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: -1.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -76.444786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.444786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.444786 (E_RNA)
where:
Base-Base interactions energy: -29.621
where: short stacking energy: -28.101
Base-Backbone interact. energy: -0.264
local terms energy: -46.560354
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -13.682
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: 3.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -221.839012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.839012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.839012 (E_RNA)
where:
Base-Base interactions energy: -139.723
where: short stacking energy: -67.466
Base-Backbone interact. energy: -0.713
local terms energy: -81.403230
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -22.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -211.114292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.114292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.114292 (E_RNA)
where:
Base-Base interactions energy: -149.835
where: short stacking energy: -50.267
Base-Backbone interact. energy: -0.025
local terms energy: -61.254353
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -10.802
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -12.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -191.400688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.400688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.400688 (E_RNA)
where:
Base-Base interactions energy: -120.864
where: short stacking energy: -51.887
Base-Backbone interact. energy: -0.695
local terms energy: -69.841752
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -13.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -195.092464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.092464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.092464 (E_RNA)
where:
Base-Base interactions energy: -125.620
where: short stacking energy: -55.448
Base-Backbone interact. energy: -0.133
local terms energy: -69.340073
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -15.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -189.357729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.357729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.357729 (E_RNA)
where:
Base-Base interactions energy: -125.698
where: short stacking energy: -51.832
Base-Backbone interact. energy: -0.884
local terms energy: -62.775164
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -11.110
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: 6
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -149.227110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.227110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.227110 (E_RNA)
where:
Base-Base interactions energy: -89.726
where: short stacking energy: -40.780
Base-Backbone interact. energy: -0.728
local terms energy: -58.773240
where:
bonds (distance) C4'-P energy: -7.817
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -6.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -136.671143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.671143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.671143 (E_RNA)
where:
Base-Base interactions energy: -86.199
where: short stacking energy: -37.251
Base-Backbone interact. energy: -0.408
local terms energy: -50.064043
where:
bonds (distance) C4'-P energy: -16.651
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -7.373
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -3.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -90.455344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.455344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.455344 (E_RNA)
where:
Base-Base interactions energy: -45.035
where: short stacking energy: -29.571
Base-Backbone interact. energy: -0.385
local terms energy: -45.035100
where:
bonds (distance) C4'-P energy: -9.403
bonds (distance) P-C4' energy: -14.527
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -0.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -81.219574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.219574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.219574 (E_RNA)
where:
Base-Base interactions energy: -37.736
where: short stacking energy: -31.710
Base-Backbone interact. energy: 0.192
local terms energy: -43.675812
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -7.701
flat angles P-C4'-P energy: -5.755
tors. eta vs tors. theta energy: -3.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -72.851592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.851592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.851592 (E_RNA)
where:
Base-Base interactions energy: -22.323
where: short stacking energy: -22.323
Base-Backbone interact. energy: 0.625
local terms energy: -51.153690
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -0.267
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: 2
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -213.475557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.475557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.475557 (E_RNA)
where:
Base-Base interactions energy: -144.056
where: short stacking energy: -55.062
Base-Backbone interact. energy: -0.206
local terms energy: -69.213940
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -9.049
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: 2, replica: 8
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -223.407643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.407643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.407643 (E_RNA)
where:
Base-Base interactions energy: -143.072
where: short stacking energy: -68.386
Base-Backbone interact. energy: -1.343
local terms energy: -78.992050
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -21.232
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: 5
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -200.600790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.600790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.600790 (E_RNA)
where:
Base-Base interactions energy: -132.986
where: short stacking energy: -55.850
Base-Backbone interact. energy: -1.207
local terms energy: -66.407884
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -13.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -181.699906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.699906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.699906 (E_RNA)
where:
Base-Base interactions energy: -113.508
where: short stacking energy: -54.651
Base-Backbone interact. energy: -0.356
local terms energy: -67.836844
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -16.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -154.928805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.928805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.928805 (E_RNA)
where:
Base-Base interactions energy: -81.999
where: short stacking energy: -46.576
Base-Backbone interact. energy: -0.011
local terms energy: -72.918740
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -13.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -171.021772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.021772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.021772 (E_RNA)
where:
Base-Base interactions energy: -109.654
where: short stacking energy: -41.938
Base-Backbone interact. energy: -0.552
local terms energy: -60.815525
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -7.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -124.948914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.948914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.948914 (E_RNA)
where:
Base-Base interactions energy: -60.929
where: short stacking energy: -38.159
Base-Backbone interact. energy: -0.324
local terms energy: -63.696094
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -14.052
tors. eta vs tors. theta energy: -4.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -125.871751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.871751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.871751 (E_RNA)
where:
Base-Base interactions energy: -74.721
where: short stacking energy: -39.075
Base-Backbone interact. energy: -0.046
local terms energy: -51.104570
where:
bonds (distance) C4'-P energy: -10.120
bonds (distance) P-C4' energy: -10.619
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -6.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -91.999874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.999874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.999874 (E_RNA)
where:
Base-Base interactions energy: -45.986
where: short stacking energy: -38.791
Base-Backbone interact. energy: -0.072
local terms energy: -45.942325
where:
bonds (distance) C4'-P energy: -9.364
bonds (distance) P-C4' energy: -9.746
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -6.232
tors. eta vs tors. theta energy: -7.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -105.664949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.664949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.664949 (E_RNA)
where:
Base-Base interactions energy: -62.509
where: short stacking energy: -33.755
Base-Backbone interact. energy: -0.336
local terms energy: -42.820374
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -11.598
flat angles C4'-P-C4' energy: -10.627
flat angles P-C4'-P energy: -6.282
tors. eta vs tors. theta energy: -1.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -205.959838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.959838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.959838 (E_RNA)
where:
Base-Base interactions energy: -141.001
where: short stacking energy: -54.220
Base-Backbone interact. energy: -0.585
local terms energy: -64.373784
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -8.474
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: 2, replica: 8
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -211.181900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.181900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.181900 (E_RNA)
where:
Base-Base interactions energy: -137.397
where: short stacking energy: -58.875
Base-Backbone interact. energy: -0.677
local terms energy: -73.108361
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -19.620
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: 5
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -205.384985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.384985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.384985 (E_RNA)
where:
Base-Base interactions energy: -141.699
where: short stacking energy: -55.540
Base-Backbone interact. energy: -0.078
local terms energy: -63.607839
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -5.877
tors. eta vs tors. theta energy: -14.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -170.501559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.501559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.501559 (E_RNA)
where:
Base-Base interactions energy: -97.827
where: short stacking energy: -49.743
Base-Backbone interact. energy: -0.003
local terms energy: -72.671969
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -7.826
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: 5, replica: 6
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -152.426061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.426061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.426061 (E_RNA)
where:
Base-Base interactions energy: -93.745
where: short stacking energy: -37.251
Base-Backbone interact. energy: -0.126
local terms energy: -58.554474
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -11.865
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: 6, replica: 7
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -160.191923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.191923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.191923 (E_RNA)
where:
Base-Base interactions energy: -103.744
where: short stacking energy: -45.323
Base-Backbone interact. energy: -0.274
local terms energy: -56.173995
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -10.601
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: 7, replica: 4
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -116.793812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.793812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.793812 (E_RNA)
where:
Base-Base interactions energy: -69.143
where: short stacking energy: -47.543
Base-Backbone interact. energy: 0.683
local terms energy: -48.333987
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -10.535
flat angles C4'-P-C4' energy: -4.633
flat angles P-C4'-P energy: -11.357
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: 8, replica: 9
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -137.624004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.624004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.624004 (E_RNA)
where:
Base-Base interactions energy: -80.136
where: short stacking energy: -38.378
Base-Backbone interact. energy: -0.412
local terms energy: -57.076144
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -15.126
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -7.831
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: 1
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -81.193454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.193454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.193454 (E_RNA)
where:
Base-Base interactions energy: -32.521
where: short stacking energy: -29.391
Base-Backbone interact. energy: 0.222
local terms energy: -48.894269
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -10.663
flat angles P-C4'-P energy: -5.332
tors. eta vs tors. theta energy: -4.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -91.348359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.348359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.348359 (E_RNA)
where:
Base-Base interactions energy: -36.378
where: short stacking energy: -29.966
Base-Backbone interact. energy: -0.318
local terms energy: -54.652918
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -11.949
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -7.851
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: 1, replica: 8
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -225.254800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.254800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.254800 (E_RNA)
where:
Base-Base interactions energy: -142.696
where: short stacking energy: -72.643
Base-Backbone interact. energy: 0.632
local terms energy: -83.191228
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -13.105
tors. eta vs tors. theta energy: -21.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -207.849407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.849407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.849407 (E_RNA)
where:
Base-Base interactions energy: -133.318
where: short stacking energy: -68.588
Base-Backbone interact. energy: -0.104
local terms energy: -74.427558
where:
bonds (distance) C4'-P energy: -9.578
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -20.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -206.839538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.839538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.839538 (E_RNA)
where:
Base-Base interactions energy: -137.502
where: short stacking energy: -51.759
Base-Backbone interact. energy: -0.107
local terms energy: -69.229755
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -7.782
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: 256
Temperature: 1.050000
Total energy: -173.008745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.008745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.008745 (E_RNA)
where:
Base-Base interactions energy: -107.595
where: short stacking energy: -52.153
Base-Backbone interact. energy: -0.675
local terms energy: -64.738612
where:
bonds (distance) C4'-P energy: -14.113
bonds (distance) P-C4' energy: -14.612
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -10.923
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: 5, replica: 6
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -174.294858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.294858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.294858 (E_RNA)
where:
Base-Base interactions energy: -99.895
where: short stacking energy: -52.501
Base-Backbone interact. energy: -0.361
local terms energy: -74.038631
where:
bonds (distance) C4'-P energy: -13.492
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -13.045
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: 6, replica: 7
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -154.193477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.193477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.193477 (E_RNA)
where:
Base-Base interactions energy: -95.545
where: short stacking energy: -44.333
Base-Backbone interact. energy: -0.033
local terms energy: -58.615815
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -9.889
flat angles P-C4'-P energy: -10.842
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: 7, replica: 9
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -134.042371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.042371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.042371 (E_RNA)
where:
Base-Base interactions energy: -80.810
where: short stacking energy: -33.064
Base-Backbone interact. energy: -0.300
local terms energy: -52.933032
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -11.618
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -5.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -105.511001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.511001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.511001 (E_RNA)
where:
Base-Base interactions energy: -62.006
where: short stacking energy: -28.791
Base-Backbone interact. energy: -0.032
local terms energy: -43.473017
where:
bonds (distance) C4'-P energy: -5.574
bonds (distance) P-C4' energy: -11.985
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -3.715
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: 10
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -84.831661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.831661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.831661 (E_RNA)
where:
Base-Base interactions energy: -33.398
where: short stacking energy: -31.350
Base-Backbone interact. energy: -0.083
local terms energy: -51.349877
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -10.539
flat angles P-C4'-P energy: -6.935
tors. eta vs tors. theta energy: -5.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -76.490742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.490742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.490742 (E_RNA)
where:
Base-Base interactions energy: -24.249
where: short stacking energy: -18.676
Base-Backbone interact. energy: -0.319
local terms energy: -51.922866
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: -2.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -220.569972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.569972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.569972 (E_RNA)
where:
Base-Base interactions energy: -147.174
where: short stacking energy: -66.137
Base-Backbone interact. energy: -1.205
local terms energy: -72.191045
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -16.049
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -21.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -213.409663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.409663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.409663 (E_RNA)
where:
Base-Base interactions energy: -148.887
where: short stacking energy: -57.262
Base-Backbone interact. energy: -0.074
local terms energy: -64.448292
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -12.040
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -8.940
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: 3, replica: 2
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -206.902876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.902876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.902876 (E_RNA)
where:
Base-Base interactions energy: -141.493
where: short stacking energy: -52.007
Base-Backbone interact. energy: -0.146
local terms energy: -65.263536
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -10.940
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -14.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -167.597588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.597588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.597588 (E_RNA)
where:
Base-Base interactions energy: -94.848
where: short stacking energy: -55.144
Base-Backbone interact. energy: -0.641
local terms energy: -72.109378
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -16.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -163.600995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.600995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.600995 (E_RNA)
where:
Base-Base interactions energy: -103.531
where: short stacking energy: -57.294
Base-Backbone interact. energy: -0.097
local terms energy: -59.972416
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -12.287
flat angles C4'-P-C4' energy: -11.191
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -12.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -155.853572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.853572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.853572 (E_RNA)
where:
Base-Base interactions energy: -92.832
where: short stacking energy: -40.732
Base-Backbone interact. energy: -0.007
local terms energy: -63.013996
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -11.750
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -10.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -128.106152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.106152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.106152 (E_RNA)
where:
Base-Base interactions energy: -70.744
where: short stacking energy: -36.828
Base-Backbone interact. energy: -0.152
local terms energy: -57.209612
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -5.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -133.688235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.688235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.688235 (E_RNA)
where:
Base-Base interactions energy: -77.012
where: short stacking energy: -40.509
Base-Backbone interact. energy: -0.263
local terms energy: -56.413393
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -3.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -93.617348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.617348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.617348 (E_RNA)
where:
Base-Base interactions energy: -37.607
where: short stacking energy: -31.651
Base-Backbone interact. energy: -0.017
local terms energy: -55.993295
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -7.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -80.053697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.053697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.053697 (E_RNA)
where:
Base-Base interactions energy: -32.347
where: short stacking energy: -23.642
Base-Backbone interact. energy: -1.387
local terms energy: -46.318854
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -5.434
tors. eta vs tors. theta energy: -1.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -228.816827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.816827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.816827 (E_RNA)
where:
Base-Base interactions energy: -150.179
where: short stacking energy: -69.616
Base-Backbone interact. energy: -0.983
local terms energy: -77.654568
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -21.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -208.896845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.896845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.896845 (E_RNA)
where:
Base-Base interactions energy: -148.087
where: short stacking energy: -49.257
Base-Backbone interact. energy: -0.285
local terms energy: -60.525262
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -7.060
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: 3, replica: 3
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -178.515314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.515314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.515314 (E_RNA)
where:
Base-Base interactions energy: -109.768
where: short stacking energy: -50.513
Base-Backbone interact. energy: -0.280
local terms energy: -68.466597
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -2.682
tors. eta vs tors. theta energy: -15.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -208.671214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.671214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.671214 (E_RNA)
where:
Base-Base interactions energy: -146.993
where: short stacking energy: -57.365
Base-Backbone interact. energy: -0.133
local terms energy: -61.545307
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -7.523
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: 5, replica: 6
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -180.567785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.567785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.567785 (E_RNA)
where:
Base-Base interactions energy: -112.697
where: short stacking energy: -48.551
Base-Backbone interact. energy: -0.545
local terms energy: -67.325641
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -8.784
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: 9
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -164.031161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.031161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.031161 (E_RNA)
where:
Base-Base interactions energy: -98.427
where: short stacking energy: -47.121
Base-Backbone interact. energy: -0.028
local terms energy: -65.576240
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -12.040
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -14.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -137.816955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.816955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.816955 (E_RNA)
where:
Base-Base interactions energy: -71.707
where: short stacking energy: -39.127
Base-Backbone interact. energy: -0.042
local terms energy: -66.068057
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -9.102
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: 7
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -134.105540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.105540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.105540 (E_RNA)
where:
Base-Base interactions energy: -81.331
where: short stacking energy: -39.616
Base-Backbone interact. energy: -0.742
local terms energy: -52.032844
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -10.869
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -5.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -91.359146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.359146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.359146 (E_RNA)
where:
Base-Base interactions energy: -49.619
where: short stacking energy: -28.927
Base-Backbone interact. energy: -0.126
local terms energy: -41.613908
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -9.760
flat angles C4'-P-C4' energy: -11.209
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: 0.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -75.502016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.502016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.502016 (E_RNA)
where:
Base-Base interactions energy: -31.539
where: short stacking energy: -26.443
Base-Backbone interact. energy: -0.132
local terms energy: -43.830628
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -17.689
flat angles P-C4'-P energy: 2.127
tors. eta vs tors. theta energy: -4.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -226.502187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.502187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.502187 (E_RNA)
where:
Base-Base interactions energy: -149.381
where: short stacking energy: -71.966
Base-Backbone interact. energy: -0.002
local terms energy: -77.118950
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -11.423
flat angles C4'-P-C4' energy: -18.069
flat angles P-C4'-P energy: -12.123
tors. eta vs tors. theta energy: -20.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -212.493554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.493554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.493554 (E_RNA)
where:
Base-Base interactions energy: -143.495
where: short stacking energy: -58.650
Base-Backbone interact. energy: -0.023
local terms energy: -68.975865
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -15.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -184.356206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.356206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.356206 (E_RNA)
where:
Base-Base interactions energy: -110.567
where: short stacking energy: -62.331
Base-Backbone interact. energy: -0.495
local terms energy: -73.294295
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -16.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -191.325923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.325923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.325923 (E_RNA)
where:
Base-Base interactions energy: -131.881
where: short stacking energy: -59.927
Base-Backbone interact. energy: -0.100
local terms energy: -59.345118
where:
bonds (distance) C4'-P energy: -9.425
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -16.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -206.641153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.641153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.641153 (E_RNA)
where:
Base-Base interactions energy: -136.307
where: short stacking energy: -50.815
Base-Backbone interact. energy: -0.766
local terms energy: -69.568454
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -14.214
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -16.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -162.874362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.874362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.874362 (E_RNA)
where:
Base-Base interactions energy: -95.346
where: short stacking energy: -54.220
Base-Backbone interact. energy: -0.001
local terms energy: -67.527220
where:
bonds (distance) C4'-P energy: -9.788
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -17.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -158.842000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.842000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.842000 (E_RNA)
where:
Base-Base interactions energy: -91.892
where: short stacking energy: -45.110
Base-Backbone interact. energy: -0.041
local terms energy: -66.908886
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -9.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -103.349927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.349927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.349927 (E_RNA)
where:
Base-Base interactions energy: -56.202
where: short stacking energy: -27.090
Base-Backbone interact. energy: -0.140
local terms energy: -47.008175
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -10.084
flat angles P-C4'-P energy: -6.047
tors. eta vs tors. theta energy: 0.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -80.780870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.780870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.780870 (E_RNA)
where:
Base-Base interactions energy: -33.126
where: short stacking energy: -29.896
Base-Backbone interact. energy: -0.362
local terms energy: -47.293501
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: 0.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -82.726662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.726662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.726662 (E_RNA)
where:
Base-Base interactions energy: -36.533
where: short stacking energy: -36.533
Base-Backbone interact. energy: -0.038
local terms energy: -46.155558
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -3.355
tors. eta vs tors. theta energy: -5.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -227.563228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.563228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.563228 (E_RNA)
where:
Base-Base interactions energy: -148.385
where: short stacking energy: -71.017
Base-Backbone interact. energy: -0.616
local terms energy: -78.562441
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -20.639
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: 5
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -215.852922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.852922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.852922 (E_RNA)
where:
Base-Base interactions energy: -147.629
where: short stacking energy: -55.924
Base-Backbone interact. energy: -0.125
local terms energy: -68.098634
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -8.042
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: 3, replica: 6
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -216.305650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.305650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.305650 (E_RNA)
where:
Base-Base interactions energy: -135.944
where: short stacking energy: -57.682
Base-Backbone interact. energy: -1.119
local terms energy: -79.242531
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -14.737
tors. eta vs tors. theta energy: -19.980
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: 3
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -174.375352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.375352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.375352 (E_RNA)
where:
Base-Base interactions energy: -105.784
where: short stacking energy: -53.127
Base-Backbone interact. energy: -0.081
local terms energy: -68.509792
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -13.931
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: 10
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -170.690972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.690972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.690972 (E_RNA)
where:
Base-Base interactions energy: -103.866
where: short stacking energy: -58.888
Base-Backbone interact. energy: -0.006
local terms energy: -66.819547
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -12.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -197.218206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.218206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.218206 (E_RNA)
where:
Base-Base interactions energy: -132.309
where: short stacking energy: -50.002
Base-Backbone interact. energy: -0.419
local terms energy: -64.490538
where:
bonds (distance) C4'-P energy: -9.028
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -11.142
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: 7, replica: 9
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -155.129645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.129645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.129645 (E_RNA)
where:
Base-Base interactions energy: -89.746
where: short stacking energy: -47.791
Base-Backbone interact. energy: -0.241
local terms energy: -65.142733
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -9.905
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: 8, replica: 1
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -80.852819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.852819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.852819 (E_RNA)
where:
Base-Base interactions energy: -28.609
where: short stacking energy: -28.063
Base-Backbone interact. energy: -0.199
local terms energy: -52.044307
where:
bonds (distance) C4'-P energy: -10.634
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: 0.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -79.254696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.254696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.254696 (E_RNA)
where:
Base-Base interactions energy: -28.734
where: short stacking energy: -22.809
Base-Backbone interact. energy: -0.052
local terms energy: -50.469142
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -10.287
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -0.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -83.774722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.774722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.774722 (E_RNA)
where:
Base-Base interactions energy: -37.766
where: short stacking energy: -31.482
Base-Backbone interact. energy: 0.233
local terms energy: -46.241874
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -11.209
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -0.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -225.862093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.862093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.862093 (E_RNA)
where:
Base-Base interactions energy: -145.085
where: short stacking energy: -66.924
Base-Backbone interact. energy: -0.449
local terms energy: -80.328654
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -13.479
tors. eta vs tors. theta energy: -19.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -220.956505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.956505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.956505 (E_RNA)
where:
Base-Base interactions energy: -142.818
where: short stacking energy: -59.721
Base-Backbone interact. energy: -1.003
local terms energy: -77.135477
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -14.576
tors. eta vs tors. theta energy: -19.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -201.136145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.136145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.136145 (E_RNA)
where:
Base-Base interactions energy: -136.288
where: short stacking energy: -56.250
Base-Backbone interact. energy: -0.395
local terms energy: -64.452531
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -10.436
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -7.649
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: 4, replica: 3
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -177.652208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.652208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.652208 (E_RNA)
where:
Base-Base interactions energy: -107.997
where: short stacking energy: -57.609
Base-Backbone interact. energy: -0.571
local terms energy: -69.084321
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -16.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -174.158341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.158341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.158341 (E_RNA)
where:
Base-Base interactions energy: -106.981
where: short stacking energy: -54.278
Base-Backbone interact. energy: -0.391
local terms energy: -66.786314
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -13.269
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: 6, replica: 2
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -190.119107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.119107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.119107 (E_RNA)
where:
Base-Base interactions energy: -130.965
where: short stacking energy: -50.646
Base-Backbone interact. energy: -0.380
local terms energy: -58.774129
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -10.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -160.028245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.028245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.028245 (E_RNA)
where:
Base-Base interactions energy: -98.177
where: short stacking energy: -47.042
Base-Backbone interact. energy: -0.088
local terms energy: -61.763224
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -12.804
flat angles C4'-P-C4' energy: -11.338
flat angles P-C4'-P energy: -12.176
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: 8, replica: 4
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -78.580773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.580773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.580773 (E_RNA)
where:
Base-Base interactions energy: -30.902
where: short stacking energy: -24.301
Base-Backbone interact. energy: -0.242
local terms energy: -47.437297
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -10.090
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -0.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -86.522226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.522226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.522226 (E_RNA)
where:
Base-Base interactions energy: -39.112
where: short stacking energy: -25.113
Base-Backbone interact. energy: -0.355
local terms energy: -47.055576
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -14.065
flat angles C4'-P-C4' energy: -11.078
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -0.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -69.928717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.928717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.928717 (E_RNA)
where:
Base-Base interactions energy: -18.933
where: short stacking energy: -18.933
Base-Backbone interact. energy: -0.186
local terms energy: -50.809717
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -8.785
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -4.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -218.630788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.630788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.630788 (E_RNA)
where:
Base-Base interactions energy: -138.116
where: short stacking energy: -52.266
Base-Backbone interact. energy: 0.490
local terms energy: -81.005164
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -14.639
tors. eta vs tors. theta energy: -17.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -222.571630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.571630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.571630 (E_RNA)
where:
Base-Base interactions energy: -141.973
where: short stacking energy: -69.534
Base-Backbone interact. energy: -2.335
local terms energy: -78.263198
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: -23.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -219.476496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.476496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.476496 (E_RNA)
where:
Base-Base interactions energy: -140.986
where: short stacking energy: -65.932
Base-Backbone interact. energy: -0.097
local terms energy: -78.393266
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -11.008
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: 4, replica: 3
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -165.307012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.307012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.307012 (E_RNA)
where:
Base-Base interactions energy: -108.201
where: short stacking energy: -39.102
Base-Backbone interact. energy: -0.939
local terms energy: -56.167404
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -10.143
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -7.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -205.062276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.062276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.062276 (E_RNA)
where:
Base-Base interactions energy: -134.951
where: short stacking energy: -57.618
Base-Backbone interact. energy: -0.009
local terms energy: -70.101686
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -17.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -164.613367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.613367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.613367 (E_RNA)
where:
Base-Base interactions energy: -98.847
where: short stacking energy: -51.628
Base-Backbone interact. energy: -0.049
local terms energy: -65.717382
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -10.034
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: 7, replica: 9
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -157.964619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.964619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.964619 (E_RNA)
where:
Base-Base interactions energy: -91.819
where: short stacking energy: -50.131
Base-Backbone interact. energy: -0.694
local terms energy: -65.451635
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -12.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -81.814365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.814365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.814365 (E_RNA)
where:
Base-Base interactions energy: -33.572
where: short stacking energy: -28.344
Base-Backbone interact. energy: 0.375
local terms energy: -48.616978
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -9.150
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -2.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -90.889800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.889800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.889800 (E_RNA)
where:
Base-Base interactions energy: -39.319
where: short stacking energy: -35.457
Base-Backbone interact. energy: -0.069
local terms energy: -51.501329
where:
bonds (distance) C4'-P energy: -7.586
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -5.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -83.569418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.569418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.569418 (E_RNA)
where:
Base-Base interactions energy: -33.922
where: short stacking energy: -32.959
Base-Backbone interact. energy: -0.264
local terms energy: -49.382813
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -2.569
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: 6
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -217.565069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.565069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.565069 (E_RNA)
where:
Base-Base interactions energy: -144.754
where: short stacking energy: -64.085
Base-Backbone interact. energy: -0.032
local terms energy: -72.779095
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -19.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -224.062567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.062567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.062567 (E_RNA)
where:
Base-Base interactions energy: -149.727
where: short stacking energy: -71.415
Base-Backbone interact. energy: -0.096
local terms energy: -74.239518
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -10.527
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: 5
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -215.554432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.554432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.554432 (E_RNA)
where:
Base-Base interactions energy: -143.814
where: short stacking energy: -68.966
Base-Backbone interact. energy: -0.074
local terms energy: -71.666453
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -9.466
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: 4, replica: 2
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -210.983148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.983148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.983148 (E_RNA)
where:
Base-Base interactions energy: -154.001
where: short stacking energy: -57.030
Base-Backbone interact. energy: 0.840
local terms energy: -57.821862
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -9.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -183.423977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.423977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.423977 (E_RNA)
where:
Base-Base interactions energy: -119.618
where: short stacking energy: -59.871
Base-Backbone interact. energy: -0.786
local terms energy: -63.020503
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -14.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -169.053552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.053552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.053552 (E_RNA)
where:
Base-Base interactions energy: -104.444
where: short stacking energy: -52.786
Base-Backbone interact. energy: -0.105
local terms energy: -64.504107
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -5.614
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: 7, replica: 9
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -138.647958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.647958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.647958 (E_RNA)
where:
Base-Base interactions energy: -81.767
where: short stacking energy: -40.521
Base-Backbone interact. energy: -0.038
local terms energy: -56.842669
where:
bonds (distance) C4'-P energy: -9.300
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -9.514
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -10.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -95.848652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.848652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.848652 (E_RNA)
where:
Base-Base interactions energy: -40.603
where: short stacking energy: -28.090
Base-Backbone interact. energy: -0.896
local terms energy: -54.349624
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -2.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -75.951092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.951092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.951092 (E_RNA)
where:
Base-Base interactions energy: -31.127
where: short stacking energy: -30.498
Base-Backbone interact. energy: -0.904
local terms energy: -43.919836
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -11.313
flat angles C4'-P-C4' energy: -9.801
flat angles P-C4'-P energy: -4.033
tors. eta vs tors. theta energy: -5.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -86.500380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.500380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.500380 (E_RNA)
where:
Base-Base interactions energy: -34.767
where: short stacking energy: -33.959
Base-Backbone interact. energy: -0.146
local terms energy: -51.587741
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -10.279
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -6.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -226.950120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.950120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.950120 (E_RNA)
where:
Base-Base interactions energy: -156.585
where: short stacking energy: -62.056
Base-Backbone interact. energy: -0.100
local terms energy: -70.264433
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -17.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -227.536479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.536479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.536479 (E_RNA)
where:
Base-Base interactions energy: -148.617
where: short stacking energy: -71.476
Base-Backbone interact. energy: -1.287
local terms energy: -77.632725
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -21.979
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: 5
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -209.686118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.686118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.686118 (E_RNA)
where:
Base-Base interactions energy: -137.429
where: short stacking energy: -53.194
Base-Backbone interact. energy: -1.131
local terms energy: -71.126190
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -12.352
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: 4, replica: 2
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -205.533355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.533355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.533355 (E_RNA)
where:
Base-Base interactions energy: -138.470
where: short stacking energy: -62.089
Base-Backbone interact. energy: -0.017
local terms energy: -67.047262
where:
bonds (distance) C4'-P energy: -13.053
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -13.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -145.575727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.575727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.575727 (E_RNA)
where:
Base-Base interactions energy: -88.437
where: short stacking energy: -47.139
Base-Backbone interact. energy: -0.455
local terms energy: -56.683397
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -10.617
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -9.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -158.753816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.753816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.753816 (E_RNA)
where:
Base-Base interactions energy: -89.990
where: short stacking energy: -42.582
Base-Backbone interact. energy: -0.137
local terms energy: -68.626309
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -10.901
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: 7, replica: 9
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -150.234915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.234915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.234915 (E_RNA)
where:
Base-Base interactions energy: -91.963
where: short stacking energy: -36.195
Base-Backbone interact. energy: -0.956
local terms energy: -57.315981
where:
bonds (distance) C4'-P energy: -12.817
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -1.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -82.678151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.678151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.678151 (E_RNA)
where:
Base-Base interactions energy: -30.398
where: short stacking energy: -30.398
Base-Backbone interact. energy: -0.590
local terms energy: -51.690335
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -10.019
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -6.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -79.987482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.987482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.987482 (E_RNA)
where:
Base-Base interactions energy: -20.937
where: short stacking energy: -20.937
Base-Backbone interact. energy: -0.014
local terms energy: -59.036275
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -6.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -79.899019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.899019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.899019 (E_RNA)
where:
Base-Base interactions energy: -27.827
where: short stacking energy: -28.260
Base-Backbone interact. energy: -0.730
local terms energy: -51.341765
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -3.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -225.400392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.400392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.400392 (E_RNA)
where:
Base-Base interactions energy: -145.228
where: short stacking energy: -59.830
Base-Backbone interact. energy: -0.867
local terms energy: -79.305530
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -17.864
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -20.547
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: 2, replica: 8
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -218.465827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.465827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.465827 (E_RNA)
where:
Base-Base interactions energy: -142.468
where: short stacking energy: -68.781
Base-Backbone interact. energy: -1.000
local terms energy: -74.997051
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -17.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -214.490778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.490778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.490778 (E_RNA)
where:
Base-Base interactions energy: -133.729
where: short stacking energy: -61.542
Base-Backbone interact. energy: -0.518
local terms energy: -80.243925
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -18.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -206.840051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.840051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.840051 (E_RNA)
where:
Base-Base interactions energy: -143.870
where: short stacking energy: -57.203
Base-Backbone interact. energy: -0.019
local terms energy: -62.951755
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -13.841
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: 10
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -168.265235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.265235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.265235 (E_RNA)
where:
Base-Base interactions energy: -100.123
where: short stacking energy: -47.856
Base-Backbone interact. energy: -0.635
local terms energy: -67.507473
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -13.661
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -12.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -159.047872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.047872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.047872 (E_RNA)
where:
Base-Base interactions energy: -102.653
where: short stacking energy: -48.574
Base-Backbone interact. energy: -0.023
local terms energy: -56.372322
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -2.654
tors. eta vs tors. theta energy: -12.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -150.114023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.114023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.114023 (E_RNA)
where:
Base-Base interactions energy: -91.262
where: short stacking energy: -36.485
Base-Backbone interact. energy: -0.271
local terms energy: -58.581484
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -6.525
tors. eta vs tors. theta energy: -8.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -86.414906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.414906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.414906 (E_RNA)
where:
Base-Base interactions energy: -31.868
where: short stacking energy: -30.940
Base-Backbone interact. energy: -0.003
local terms energy: -54.544204
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -13.865
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -4.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -75.921771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.921771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.921771 (E_RNA)
where:
Base-Base interactions energy: -29.408
where: short stacking energy: -26.550
Base-Backbone interact. energy: -0.211
local terms energy: -46.302928
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -9.913
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -1.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -81.443679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.443679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.443679 (E_RNA)
where:
Base-Base interactions energy: -36.842
where: short stacking energy: -29.054
Base-Backbone interact. energy: -0.258
local terms energy: -44.343370
where:
bonds (distance) C4'-P energy: -9.769
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -6.393
tors. eta vs tors. theta energy: -1.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -220.434596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.434596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.434596 (E_RNA)
where:
Base-Base interactions energy: -144.388
where: short stacking energy: -63.142
Base-Backbone interact. energy: -3.012
local terms energy: -73.034797
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -19.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -215.733932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.733932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.733932 (E_RNA)
where:
Base-Base interactions energy: -137.300
where: short stacking energy: -65.101
Base-Backbone interact. energy: -1.734
local terms energy: -76.699356
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -18.777
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: 2
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -211.911554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.911554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.911554 (E_RNA)
where:
Base-Base interactions energy: -141.103
where: short stacking energy: -66.407
Base-Backbone interact. energy: -0.178
local terms energy: -70.630573
where:
bonds (distance) C4'-P energy: -8.417
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -10.466
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: 4, replica: 5
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -210.157407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.157407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.157407 (E_RNA)
where:
Base-Base interactions energy: -132.833
where: short stacking energy: -66.801
Base-Backbone interact. energy: -0.002
local terms energy: -77.322758
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -21.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -167.208156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.208156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.208156 (E_RNA)
where:
Base-Base interactions energy: -106.240
where: short stacking energy: -54.653
Base-Backbone interact. energy: -0.775
local terms energy: -60.192879
where:
bonds (distance) C4'-P energy: -9.168
bonds (distance) P-C4' energy: -13.273
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -15.224
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: 10
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -164.805139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.805139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.805139 (E_RNA)
where:
Base-Base interactions energy: -101.903
where: short stacking energy: -53.262
Base-Backbone interact. energy: -0.848
local terms energy: -62.055032
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -13.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -158.269413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.269413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.269413 (E_RNA)
where:
Base-Base interactions energy: -97.614
where: short stacking energy: -37.495
Base-Backbone interact. energy: -0.035
local terms energy: -60.620670
where:
bonds (distance) C4'-P energy: -9.020
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -11.325
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: 8, replica: 1
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -89.770636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.770636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.770636 (E_RNA)
where:
Base-Base interactions energy: -34.080
where: short stacking energy: -34.080
Base-Backbone interact. energy: -0.125
local terms energy: -55.565710
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -11.810
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -4.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -76.661133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.661133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.661133 (E_RNA)
where:
Base-Base interactions energy: -22.358
where: short stacking energy: -22.643
Base-Backbone interact. energy: -0.087
local terms energy: -54.215753
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -5.865
tors. eta vs tors. theta energy: -2.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -85.541687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.541687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.541687 (E_RNA)
where:
Base-Base interactions energy: -34.145
where: short stacking energy: -30.009
Base-Backbone interact. energy: -0.143
local terms energy: -51.253805
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -1.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -217.890120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.890120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.890120 (E_RNA)
where:
Base-Base interactions energy: -144.368
where: short stacking energy: -54.521
Base-Backbone interact. energy: -0.180
local terms energy: -73.342294
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -18.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -220.257196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.257196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.257196 (E_RNA)
where:
Base-Base interactions energy: -141.566
where: short stacking energy: -71.200
Base-Backbone interact. energy: -1.655
local terms energy: -77.036043
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -21.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -212.689179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.689179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.689179 (E_RNA)
where:
Base-Base interactions energy: -141.894
where: short stacking energy: -68.461
Base-Backbone interact. energy: -1.062
local terms energy: -69.733286
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -10.138
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -20.566
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: 5
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -209.297208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.297208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.297208 (E_RNA)
where:
Base-Base interactions energy: -137.266
where: short stacking energy: -54.323
Base-Backbone interact. energy: -1.925
local terms energy: -70.105375
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -10.406
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: 5, replica: 9
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -174.883292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.883292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.883292 (E_RNA)
where:
Base-Base interactions energy: -103.174
where: short stacking energy: -58.399
Base-Backbone interact. energy: -0.027
local terms energy: -71.682095
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -16.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -164.320719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.320719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.320719 (E_RNA)
where:
Base-Base interactions energy: -94.581
where: short stacking energy: -51.099
Base-Backbone interact. energy: -0.739
local terms energy: -69.000941
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -12.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -167.993479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.993479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.993479 (E_RNA)
where:
Base-Base interactions energy: -102.705
where: short stacking energy: -51.568
Base-Backbone interact. energy: -0.798
local terms energy: -64.490120
where:
bonds (distance) C4'-P energy: -10.116
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -15.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -126.930990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.930990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.930990 (E_RNA)
where:
Base-Base interactions energy: -73.933
where: short stacking energy: -32.338
Base-Backbone interact. energy: -0.068
local terms energy: -52.929549
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -2.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -92.517069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.517069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.517069 (E_RNA)
where:
Base-Base interactions energy: -36.284
where: short stacking energy: -36.284
Base-Backbone interact. energy: -0.306
local terms energy: -55.927304
where:
bonds (distance) C4'-P energy: -7.400
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -8.803
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: 7
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -85.285280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.285280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.285280 (E_RNA)
where:
Base-Base interactions energy: -35.299
where: short stacking energy: -35.299
Base-Backbone interact. energy: -0.051
local terms energy: -49.935607
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -9.922
flat angles P-C4'-P energy: -6.519
tors. eta vs tors. theta energy: -3.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -218.842869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.842869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.842869 (E_RNA)
where:
Base-Base interactions energy: -137.862
where: short stacking energy: -66.986
Base-Backbone interact. energy: -0.382
local terms energy: -80.598102
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -18.260
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -17.511
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: 2, replica: 6
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -225.263945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.263945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.263945 (E_RNA)
where:
Base-Base interactions energy: -151.148
where: short stacking energy: -71.901
Base-Backbone interact. energy: -0.579
local terms energy: -73.536869
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -21.104
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: 3, replica: 5
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -213.488796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.488796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.488796 (E_RNA)
where:
Base-Base interactions energy: -138.055
where: short stacking energy: -68.498
Base-Backbone interact. energy: -0.369
local terms energy: -75.065176
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -20.380
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: 2
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -211.420404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.420404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.420404 (E_RNA)
where:
Base-Base interactions energy: -139.383
where: short stacking energy: -64.862
Base-Backbone interact. energy: -0.091
local terms energy: -71.946179
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -8.906
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: 5, replica: 3
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -186.174092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.174092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.174092 (E_RNA)
where:
Base-Base interactions energy: -113.710
where: short stacking energy: -62.325
Base-Backbone interact. energy: -0.413
local terms energy: -72.050568
where:
bonds (distance) C4'-P energy: -17.907
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -14.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -154.540349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.540349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.540349 (E_RNA)
where:
Base-Base interactions energy: -99.868
where: short stacking energy: -51.145
Base-Backbone interact. energy: -0.290
local terms energy: -54.382269
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -8.471
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: -8.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -92.766047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.766047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.766047 (E_RNA)
where:
Base-Base interactions energy: -31.340
where: short stacking energy: -28.428
Base-Backbone interact. energy: 0.212
local terms energy: -61.638024
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -8.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -113.182274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.182274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.182274 (E_RNA)
where:
Base-Base interactions energy: -67.204
where: short stacking energy: -24.150
Base-Backbone interact. energy: 0.232
local terms energy: -46.209926
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -3.863
tors. eta vs tors. theta energy: -0.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -81.956604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.956604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.956604 (E_RNA)
where:
Base-Base interactions energy: -26.125
where: short stacking energy: -26.125
Base-Backbone interact. energy: -0.138
local terms energy: -55.693364
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -2.812
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: 7
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -83.296645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.296645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.296645 (E_RNA)
where:
Base-Base interactions energy: -31.076
where: short stacking energy: -27.389
Base-Backbone interact. energy: -0.002
local terms energy: -52.218396
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -10.423
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -0.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -211.331772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.331772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.331772 (E_RNA)
where:
Base-Base interactions energy: -136.995
where: short stacking energy: -64.522
Base-Backbone interact. energy: -0.561
local terms energy: -73.776386
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -18.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -218.283466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.283466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.283466 (E_RNA)
where:
Base-Base interactions energy: -147.160
where: short stacking energy: -52.645
Base-Backbone interact. energy: -1.272
local terms energy: -69.851169
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: -15.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -214.591803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.591803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.591803 (E_RNA)
where:
Base-Base interactions energy: -142.435
where: short stacking energy: -69.941
Base-Backbone interact. energy: -0.082
local terms energy: -72.074632
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -7.237
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: 4, replica: 2
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -201.707475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.707475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.707475 (E_RNA)
where:
Base-Base interactions energy: -136.152
where: short stacking energy: -53.241
Base-Backbone interact. energy: 0.286
local terms energy: -65.841198
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -9.656
flat angles P-C4'-P energy: -11.706
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: 5, replica: 3
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -189.696468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.696468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.696468 (E_RNA)
where:
Base-Base interactions energy: -119.436
where: short stacking energy: -60.364
Base-Backbone interact. energy: -0.038
local terms energy: -70.222380
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -19.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -105.235903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.235903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.235903 (E_RNA)
where:
Base-Base interactions energy: -52.875
where: short stacking energy: -26.596
Base-Backbone interact. energy: -0.153
local terms energy: -52.207875
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -5.353
tors. eta vs tors. theta energy: 0.692
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: 269
Temperature: 1.200000
Total energy: -147.139688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.139688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.139688 (E_RNA)
where:
Base-Base interactions energy: -92.707
where: short stacking energy: -48.454
Base-Backbone interact. energy: -0.183
local terms energy: -54.249685
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -9.617
flat angles P-C4'-P energy: -6.802
tors. eta vs tors. theta energy: -7.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -81.887471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.887471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.887471 (E_RNA)
where:
Base-Base interactions energy: -32.275
where: short stacking energy: -30.716
Base-Backbone interact. energy: -0.093
local terms energy: -49.519348
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -6.386
tors. eta vs tors. theta energy: -2.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -83.959630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.959630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.959630 (E_RNA)
where:
Base-Base interactions energy: -35.135
where: short stacking energy: -34.972
Base-Backbone interact. energy: 0.514
local terms energy: -49.338827
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -11.132
flat angles C4'-P-C4' energy: -9.896
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -3.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -71.059013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.059013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.059013 (E_RNA)
where:
Base-Base interactions energy: -30.657
where: short stacking energy: -12.190
Base-Backbone interact. energy: -0.870
local terms energy: -39.531867
where:
bonds (distance) C4'-P energy: -10.263
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -7.255
tors. eta vs tors. theta energy: 4.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -223.106470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.106470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.106470 (E_RNA)
where:
Base-Base interactions energy: -149.231
where: short stacking energy: -64.264
Base-Backbone interact. energy: -2.259
local terms energy: -71.616566
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -5.955
tors. eta vs tors. theta energy: -20.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -204.111917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.111917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.111917 (E_RNA)
where:
Base-Base interactions energy: -137.299
where: short stacking energy: -42.605
Base-Backbone interact. energy: -1.119
local terms energy: -65.693516
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -12.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -216.681113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.681113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.681113 (E_RNA)
where:
Base-Base interactions energy: -135.857
where: short stacking energy: -65.426
Base-Backbone interact. energy: -1.118
local terms energy: -79.706137
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -21.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -192.277330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.277330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.277330 (E_RNA)
where:
Base-Base interactions energy: -129.229
where: short stacking energy: -58.486
Base-Backbone interact. energy: -1.018
local terms energy: -62.030467
where:
bonds (distance) C4'-P energy: -9.984
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -7.908
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: 5, replica: 3
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -173.819006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.819006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.819006 (E_RNA)
where:
Base-Base interactions energy: -113.445
where: short stacking energy: -59.145
Base-Backbone interact. energy: 1.509
local terms energy: -61.882931
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -13.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -99.835175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.835175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.835175 (E_RNA)
where:
Base-Base interactions energy: -37.518
where: short stacking energy: -30.511
Base-Backbone interact. energy: -0.184
local terms energy: -62.132667
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -169.124552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.124552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.124552 (E_RNA)
where:
Base-Base interactions energy: -106.777
where: short stacking energy: -46.824
Base-Backbone interact. energy: -0.513
local terms energy: -61.834843
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -9.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -80.404602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.404602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.404602 (E_RNA)
where:
Base-Base interactions energy: -30.629
where: short stacking energy: -29.698
Base-Backbone interact. energy: -0.186
local terms energy: -49.589247
where:
bonds (distance) C4'-P energy: -9.569
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -10.074
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -0.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -80.121742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.121742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.121742 (E_RNA)
where:
Base-Base interactions energy: -43.455
where: short stacking energy: -27.182
Base-Backbone interact. energy: 0.417
local terms energy: -37.083901
where:
bonds (distance) C4'-P energy: -6.179
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -4.510
tors. eta vs tors. theta energy: 0.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -77.884813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.884813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.884813 (E_RNA)
where:
Base-Base interactions energy: -32.506
where: short stacking energy: -20.873
Base-Backbone interact. energy: -0.766
local terms energy: -44.612221
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -7.441
flat angles P-C4'-P energy: -6.827
tors. eta vs tors. theta energy: -1.891
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: 6
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -212.491682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.491682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.491682 (E_RNA)
where:
Base-Base interactions energy: -142.790
where: short stacking energy: -53.499
Base-Backbone interact. energy: -0.548
local terms energy: -69.153847
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -16.304
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: 5
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -221.070090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.070090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.070090 (E_RNA)
where:
Base-Base interactions energy: -144.798
where: short stacking energy: -62.541
Base-Backbone interact. energy: -0.476
local terms energy: -75.795558
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -13.698
tors. eta vs tors. theta energy: -18.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -207.651799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.651799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.651799 (E_RNA)
where:
Base-Base interactions energy: -135.621
where: short stacking energy: -58.052
Base-Backbone interact. energy: -0.205
local terms energy: -71.825151
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -14.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -210.614333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.614333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.614333 (E_RNA)
where:
Base-Base interactions energy: -135.093
where: short stacking energy: -67.837
Base-Backbone interact. energy: -0.026
local terms energy: -75.495642
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -21.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -175.464761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.464761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.464761 (E_RNA)
where:
Base-Base interactions energy: -111.739
where: short stacking energy: -61.229
Base-Backbone interact. energy: -0.089
local terms energy: -63.636244
where:
bonds (distance) C4'-P energy: -10.414
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -8.241
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: 6, replica: 9
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -149.920922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.920922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.920922 (E_RNA)
where:
Base-Base interactions energy: -86.506
where: short stacking energy: -43.440
Base-Backbone interact. energy: -0.010
local terms energy: -63.404512
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -12.283
flat angles C4'-P-C4' energy: -10.551
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -13.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -97.136387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.136387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.136387 (E_RNA)
where:
Base-Base interactions energy: -41.241
where: short stacking energy: -36.184
Base-Backbone interact. energy: -0.043
local terms energy: -55.852946
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -3.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -88.827497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.827497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.827497 (E_RNA)
where:
Base-Base interactions energy: -38.272
where: short stacking energy: -23.474
Base-Backbone interact. energy: -0.118
local terms energy: -50.436926
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -10.562
flat angles P-C4'-P energy: -2.578
tors. eta vs tors. theta energy: -3.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -71.273622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.273622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.273622 (E_RNA)
where:
Base-Base interactions energy: -22.858
where: short stacking energy: -21.455
Base-Backbone interact. energy: 0.065
local terms energy: -48.479984
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -11.629
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: 1.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -79.962851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.962851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.962851 (E_RNA)
where:
Base-Base interactions energy: -31.707
where: short stacking energy: -30.292
Base-Backbone interact. energy: -0.291
local terms energy: -47.965430
where:
bonds (distance) C4'-P energy: -7.707
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -4.299
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -9.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -229.702258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.702258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.702258 (E_RNA)
where:
Base-Base interactions energy: -148.758
where: short stacking energy: -71.957
Base-Backbone interact. energy: -0.978
local terms energy: -79.965785
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -21.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -224.987295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.987295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.987295 (E_RNA)
where:
Base-Base interactions energy: -141.174
where: short stacking energy: -71.324
Base-Backbone interact. energy: -0.374
local terms energy: -83.438795
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -17.416
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -21.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -207.999977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.999977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.999977 (E_RNA)
where:
Base-Base interactions energy: -147.027
where: short stacking energy: -56.670
Base-Backbone interact. energy: -0.741
local terms energy: -60.232017
where:
bonds (distance) C4'-P energy: -9.189
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -7.747
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: 4, replica: 2
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -214.476912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.476912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.476912 (E_RNA)
where:
Base-Base interactions energy: -148.245
where: short stacking energy: -56.091
Base-Backbone interact. energy: -0.009
local terms energy: -66.223441
where:
bonds (distance) C4'-P energy: -5.467
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -19.035
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: 3
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -173.262751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.262751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.262751 (E_RNA)
where:
Base-Base interactions energy: -103.224
where: short stacking energy: -53.464
Base-Backbone interact. energy: -0.410
local terms energy: -69.628725
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -12.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -138.971858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.971858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.971858 (E_RNA)
where:
Base-Base interactions energy: -74.076
where: short stacking energy: -34.278
Base-Backbone interact. energy: -0.332
local terms energy: -64.563628
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -11.706
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: 7, replica: 4
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -92.988076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.988076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.988076 (E_RNA)
where:
Base-Base interactions energy: -39.940
where: short stacking energy: -32.821
Base-Backbone interact. energy: -0.111
local terms energy: -52.937564
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -5.034
tors. eta vs tors. theta energy: -2.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -88.930311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.930311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.930311 (E_RNA)
where:
Base-Base interactions energy: -36.801
where: short stacking energy: -35.588
Base-Backbone interact. energy: -0.306
local terms energy: -51.823301
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -8.776
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -5.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -92.733337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.733337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.733337 (E_RNA)
where:
Base-Base interactions energy: -45.110
where: short stacking energy: -39.318
Base-Backbone interact. energy: 0.067
local terms energy: -47.690349
where:
bonds (distance) C4'-P energy: -9.325
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -10.566
flat angles P-C4'-P energy: -5.337
tors. eta vs tors. theta energy: -7.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -78.590951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.590951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.590951 (E_RNA)
where:
Base-Base interactions energy: -29.190
where: short stacking energy: -29.190
Base-Backbone interact. energy: 1.463
local terms energy: -50.863916
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -5.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -223.969337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.969337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.969337 (E_RNA)
where:
Base-Base interactions energy: -143.587
where: short stacking energy: -67.095
Base-Backbone interact. energy: -1.695
local terms energy: -78.687526
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -22.121
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: 8
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -213.388234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.388234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.388234 (E_RNA)
where:
Base-Base interactions energy: -140.132
where: short stacking energy: -56.023
Base-Backbone interact. energy: -0.277
local terms energy: -72.979189
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -10.281
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: 3, replica: 6
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -216.367858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.367858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.367858 (E_RNA)
where:
Base-Base interactions energy: -144.578
where: short stacking energy: -73.087
Base-Backbone interact. energy: -0.020
local terms energy: -71.769468
where:
bonds (distance) C4'-P energy: -11.455
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -22.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -201.028927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.028927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.028927 (E_RNA)
where:
Base-Base interactions energy: -137.172
where: short stacking energy: -68.576
Base-Backbone interact. energy: -0.017
local terms energy: -63.840495
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -10.308
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -17.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -162.329360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.329360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.329360 (E_RNA)
where:
Base-Base interactions energy: -100.002
where: short stacking energy: -57.628
Base-Backbone interact. energy: -0.128
local terms energy: -62.199286
where:
bonds (distance) C4'-P energy: -8.770
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -7.811
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: 6, replica: 9
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -155.539724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.539724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.539724 (E_RNA)
where:
Base-Base interactions energy: -89.627
where: short stacking energy: -50.315
Base-Backbone interact. energy: -0.917
local terms energy: -64.995986
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -9.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -94.181547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.181547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.181547 (E_RNA)
where:
Base-Base interactions energy: -37.917
where: short stacking energy: -32.702
Base-Backbone interact. energy: -0.027
local terms energy: -56.237239
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -11.408
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -5.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -85.386971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.386971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.386971 (E_RNA)
where:
Base-Base interactions energy: -40.129
where: short stacking energy: -17.618
Base-Backbone interact. energy: -0.311
local terms energy: -44.946935
where:
bonds (distance) C4'-P energy: -11.228
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: 0.262
tors. eta vs tors. theta energy: -3.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -80.684912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.684912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.684912 (E_RNA)
where:
Base-Base interactions energy: -38.025
where: short stacking energy: -27.533
Base-Backbone interact. energy: -0.279
local terms energy: -42.379983
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -4.951
flat angles P-C4'-P energy: -5.802
tors. eta vs tors. theta energy: -2.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -85.075514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.075514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.075514 (E_RNA)
where:
Base-Base interactions energy: -33.340
where: short stacking energy: -30.502
Base-Backbone interact. energy: -0.642
local terms energy: -51.093112
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -3.101
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: 8
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -217.346661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.346661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.346661 (E_RNA)
where:
Base-Base interactions energy: -152.979
where: short stacking energy: -61.424
Base-Backbone interact. energy: 0.410
local terms energy: -64.777855
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -10.108
flat angles P-C4'-P energy: -8.063
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: 2, replica: 5
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -216.853259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.853259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.853259 (E_RNA)
where:
Base-Base interactions energy: -143.406
where: short stacking energy: -66.612
Base-Backbone interact. energy: -0.013
local terms energy: -73.434467
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -20.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -215.154284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.154284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.154284 (E_RNA)
where:
Base-Base interactions energy: -139.847
where: short stacking energy: -55.038
Base-Backbone interact. energy: -1.963
local terms energy: -73.344253
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -18.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -211.352377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.352377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.352377 (E_RNA)
where:
Base-Base interactions energy: -142.020
where: short stacking energy: -57.302
Base-Backbone interact. energy: -0.585
local terms energy: -68.747784
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -12.115
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -15.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -164.425532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.425532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.425532 (E_RNA)
where:
Base-Base interactions energy: -104.413
where: short stacking energy: -49.467
Base-Backbone interact. energy: 0.430
local terms energy: -60.442348
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -10.271
flat angles C4'-P-C4' energy: -17.617
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -8.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -164.674302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.674302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.674302 (E_RNA)
where:
Base-Base interactions energy: -109.231
where: short stacking energy: -56.938
Base-Backbone interact. energy: -0.449
local terms energy: -54.993534
where:
bonds (distance) C4'-P energy: -7.627
bonds (distance) P-C4' energy: -13.288
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -9.777
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: 7, replica: 10
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -122.262280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.262280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.262280 (E_RNA)
where:
Base-Base interactions energy: -59.822
where: short stacking energy: -40.326
Base-Backbone interact. energy: -0.213
local terms energy: -62.227029
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -11.419
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: 4
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -93.050840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.050840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.050840 (E_RNA)
where:
Base-Base interactions energy: -42.199
where: short stacking energy: -25.961
Base-Backbone interact. energy: 1.254
local terms energy: -52.106353
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: -1.604
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: 9, replica: 1
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -84.327522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.327522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.327522 (E_RNA)
where:
Base-Base interactions energy: -29.524
where: short stacking energy: -27.090
Base-Backbone interact. energy: -1.263
local terms energy: -53.540466
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: 0.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -69.365184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.365184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.365184 (E_RNA)
where:
Base-Base interactions energy: -22.598
where: short stacking energy: -22.698
Base-Backbone interact. energy: -0.057
local terms energy: -46.709837
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -3.002
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: 8
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -218.423439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.423439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.423439 (E_RNA)
where:
Base-Base interactions energy: -139.023
where: short stacking energy: -54.847
Base-Backbone interact. energy: -0.489
local terms energy: -78.911615
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -13.002
tors. eta vs tors. theta energy: -18.961
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: 6
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -215.514952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.514952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.514952 (E_RNA)
where:
Base-Base interactions energy: -144.220
where: short stacking energy: -61.064
Base-Backbone interact. energy: -2.118
local terms energy: -69.176569
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -20.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -215.630870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.630870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.630870 (E_RNA)
where:
Base-Base interactions energy: -136.275
where: short stacking energy: -72.600
Base-Backbone interact. energy: -0.065
local terms energy: -79.290726
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -17.305
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -21.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -155.770159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.770159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.770159 (E_RNA)
where:
Base-Base interactions energy: -90.416
where: short stacking energy: -46.392
Base-Backbone interact. energy: -0.178
local terms energy: -65.176462
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -8.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -206.661497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.661497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.661497 (E_RNA)
where:
Base-Base interactions energy: -129.260
where: short stacking energy: -64.091
Base-Backbone interact. energy: -0.202
local terms energy: -77.199728
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -18.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -124.981386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.981386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.981386 (E_RNA)
where:
Base-Base interactions energy: -71.855
where: short stacking energy: -36.123
Base-Backbone interact. energy: -0.718
local terms energy: -52.408297
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -6.157
tors. eta vs tors. theta energy: -5.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -93.366297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.366297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.366297 (E_RNA)
where:
Base-Base interactions energy: -45.233
where: short stacking energy: -34.943
Base-Backbone interact. energy: 0.581
local terms energy: -48.714247
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -9.855
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -0.777
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: 1
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -81.654560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.654560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.654560 (E_RNA)
where:
Base-Base interactions energy: -27.577
where: short stacking energy: -27.296
Base-Backbone interact. energy: -0.574
local terms energy: -53.504269
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -16.205
flat angles C4'-P-C4' energy: -10.294
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -5.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -85.368292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.368292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.368292 (E_RNA)
where:
Base-Base interactions energy: -37.010
where: short stacking energy: -33.628
Base-Backbone interact. energy: -0.489
local terms energy: -47.868681
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -10.336
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -5.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -72.687612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.687612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.687612 (E_RNA)
where:
Base-Base interactions energy: -22.332
where: short stacking energy: -13.713
Base-Backbone interact. energy: -0.206
local terms energy: -50.149627
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: 0.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -224.859011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.859011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.859011 (E_RNA)
where:
Base-Base interactions energy: -145.435
where: short stacking energy: -67.361
Base-Backbone interact. energy: -0.112
local terms energy: -79.311386
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -12.280
tors. eta vs tors. theta energy: -19.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -224.527994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.527994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.527994 (E_RNA)
where:
Base-Base interactions energy: -145.962
where: short stacking energy: -72.665
Base-Backbone interact. energy: -0.268
local terms energy: -78.297760
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -21.782
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: 5
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -219.538786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.538786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.538786 (E_RNA)
where:
Base-Base interactions energy: -144.300
where: short stacking energy: -69.610
Base-Backbone interact. energy: -0.021
local terms energy: -75.217873
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -20.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -180.575104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.575104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.575104 (E_RNA)
where:
Base-Base interactions energy: -101.600
where: short stacking energy: -61.381
Base-Backbone interact. energy: -0.007
local terms energy: -78.968562
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -19.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -201.906109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.906109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.906109 (E_RNA)
where:
Base-Base interactions energy: -129.803
where: short stacking energy: -61.174
Base-Backbone interact. energy: -0.696
local terms energy: -71.406349
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -17.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -157.051494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.051494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.051494 (E_RNA)
where:
Base-Base interactions energy: -98.284
where: short stacking energy: -46.683
Base-Backbone interact. energy: 0.020
local terms energy: -58.787291
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -11.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -99.571894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.571894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.571894 (E_RNA)
where:
Base-Base interactions energy: -52.706
where: short stacking energy: -35.187
Base-Backbone interact. energy: -0.066
local terms energy: -46.800096
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -6.378
flat angles P-C4'-P energy: -2.310
tors. eta vs tors. theta energy: -7.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -82.800182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.800182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.800182 (E_RNA)
where:
Base-Base interactions energy: -33.229
where: short stacking energy: -30.336
Base-Backbone interact. energy: -0.128
local terms energy: -49.442590
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -10.339
flat angles C4'-P-C4' energy: -11.273
flat angles P-C4'-P energy: -5.749
tors. eta vs tors. theta energy: -4.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -84.413943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.413943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.413943 (E_RNA)
where:
Base-Base interactions energy: -38.873
where: short stacking energy: -26.281
Base-Backbone interact. energy: -0.683
local terms energy: -44.857279
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -8.588
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -1.891
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: 4
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -81.096700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.096700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.096700 (E_RNA)
where:
Base-Base interactions energy: -33.128
where: short stacking energy: -27.378
Base-Backbone interact. energy: -0.351
local terms energy: -47.618011
where:
bonds (distance) C4'-P energy: -8.897
bonds (distance) P-C4' energy: -8.583
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -3.756
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: 1, replica: 6
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -224.928480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.928480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.928480 (E_RNA)
where:
Base-Base interactions energy: -154.252
where: short stacking energy: -63.987
Base-Backbone interact. energy: -0.029
local terms energy: -70.647317
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -14.587
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -18.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -226.681070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.681070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.681070 (E_RNA)
where:
Base-Base interactions energy: -150.039
where: short stacking energy: -68.635
Base-Backbone interact. energy: -0.042
local terms energy: -76.600384
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -19.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -219.363497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.363497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.363497 (E_RNA)
where:
Base-Base interactions energy: -136.670
where: short stacking energy: -65.325
Base-Backbone interact. energy: -0.001
local terms energy: -82.692701
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -13.734
tors. eta vs tors. theta energy: -22.969
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: 2
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -205.359029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.359029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.359029 (E_RNA)
where:
Base-Base interactions energy: -133.783
where: short stacking energy: -59.112
Base-Backbone interact. energy: -0.012
local terms energy: -71.564487
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -10.608
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: 5, replica: 9
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -173.319268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.319268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.319268 (E_RNA)
where:
Base-Base interactions energy: -108.903
where: short stacking energy: -58.532
Base-Backbone interact. energy: -0.291
local terms energy: -64.124526
where:
bonds (distance) C4'-P energy: -8.555
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -11.101
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: 6, replica: 3
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -153.492105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.492105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.492105 (E_RNA)
where:
Base-Base interactions energy: -102.944
where: short stacking energy: -53.032
Base-Backbone interact. energy: 1.618
local terms energy: -52.165247
where:
bonds (distance) C4'-P energy: -8.598
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -4.398
tors. eta vs tors. theta energy: -10.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -91.614649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.614649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.614649 (E_RNA)
where:
Base-Base interactions energy: -35.188
where: short stacking energy: -26.252
Base-Backbone interact. energy: 0.945
local terms energy: -57.371609
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -6.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -81.721438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.721438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.721438 (E_RNA)
where:
Base-Base interactions energy: -26.666
where: short stacking energy: -20.629
Base-Backbone interact. energy: -0.282
local terms energy: -54.773924
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -11.684
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: 9, replica: 7
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -89.109919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.109919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.109919 (E_RNA)
where:
Base-Base interactions energy: -34.441
where: short stacking energy: -22.768
Base-Backbone interact. energy: -0.465
local terms energy: -54.204470
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -0.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -89.064102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.064102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.064102 (E_RNA)
where:
Base-Base interactions energy: -41.030
where: short stacking energy: -41.030
Base-Backbone interact. energy: -0.028
local terms energy: -48.006135
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -7.140
flat angles P-C4'-P energy: -5.494
tors. eta vs tors. theta energy: -7.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -220.147474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.147474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.147474 (E_RNA)
where:
Base-Base interactions energy: -139.468
where: short stacking energy: -63.860
Base-Backbone interact. energy: -0.282
local terms energy: -80.398354
where:
bonds (distance) C4'-P energy: -16.408
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -12.509
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: 6
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -219.478910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.478910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.478910 (E_RNA)
where:
Base-Base interactions energy: -142.339
where: short stacking energy: -65.510
Base-Backbone interact. energy: -0.002
local terms energy: -77.137548
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -21.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -218.264163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.264163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.264163 (E_RNA)
where:
Base-Base interactions energy: -149.062
where: short stacking energy: -58.286
Base-Backbone interact. energy: -0.526
local terms energy: -68.676243
where:
bonds (distance) C4'-P energy: -10.879
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -18.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -209.479067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.479067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.479067 (E_RNA)
where:
Base-Base interactions energy: -136.652
where: short stacking energy: -57.323
Base-Backbone interact. energy: -0.606
local terms energy: -72.221152
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -17.437
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: 5, replica: 3
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -156.117318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.117318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.117318 (E_RNA)
where:
Base-Base interactions energy: -99.419
where: short stacking energy: -54.339
Base-Backbone interact. energy: -1.043
local terms energy: -55.654805
where:
bonds (distance) C4'-P energy: -8.795
bonds (distance) P-C4' energy: -13.298
flat angles C4'-P-C4' energy: -10.907
flat angles P-C4'-P energy: -11.779
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: 6, replica: 9
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -161.813655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.813655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.813655 (E_RNA)
where:
Base-Base interactions energy: -97.307
where: short stacking energy: -54.057
Base-Backbone interact. energy: -0.071
local terms energy: -64.435354
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -11.875
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -12.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -85.534244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.534244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.534244 (E_RNA)
where:
Base-Base interactions energy: -32.856
where: short stacking energy: -30.605
Base-Backbone interact. energy: -0.217
local terms energy: -52.461007
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -11.581
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -7.387
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: 8, replica: 1
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -84.725555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.725555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.725555 (E_RNA)
where:
Base-Base interactions energy: -32.065
where: short stacking energy: -31.880
Base-Backbone interact. energy: -0.011
local terms energy: -52.649752
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -2.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -74.327394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.327394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.327394 (E_RNA)
where:
Base-Base interactions energy: -20.116
where: short stacking energy: -19.320
Base-Backbone interact. energy: 0.818
local terms energy: -55.029396
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -12.769
tors. eta vs tors. theta energy: -0.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -76.721583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.721583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.721583 (E_RNA)
where:
Base-Base interactions energy: -30.794
where: short stacking energy: -24.116
Base-Backbone interact. energy: -0.502
local terms energy: -45.426015
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -5.284
tors. eta vs tors. theta energy: -2.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -221.599022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.599022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.599022 (E_RNA)
where:
Base-Base interactions energy: -146.113
where: short stacking energy: -66.165
Base-Backbone interact. energy: -0.016
local terms energy: -75.470307
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -18.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -224.005201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.005201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.005201 (E_RNA)
where:
Base-Base interactions energy: -151.683
where: short stacking energy: -56.454
Base-Backbone interact. energy: -0.460
local terms energy: -71.861857
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -13.417
tors. eta vs tors. theta energy: -14.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -214.900126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.900126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.900126 (E_RNA)
where:
Base-Base interactions energy: -142.422
where: short stacking energy: -55.584
Base-Backbone interact. energy: -1.650
local terms energy: -70.827322
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -7.176
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: 4, replica: 2
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -209.679135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.679135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.679135 (E_RNA)
where:
Base-Base interactions energy: -138.157
where: short stacking energy: -69.721
Base-Backbone interact. energy: 0.552
local terms energy: -72.074077
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -11.634
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -16.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -171.914289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.914289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.914289 (E_RNA)
where:
Base-Base interactions energy: -109.330
where: short stacking energy: -54.914
Base-Backbone interact. energy: -0.351
local terms energy: -62.234240
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -10.475
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: 9
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -163.331517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.331517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.331517 (E_RNA)
where:
Base-Base interactions energy: -101.327
where: short stacking energy: -50.966
Base-Backbone interact. energy: -0.151
local terms energy: -61.853733
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -5.274
tors. eta vs tors. theta energy: -9.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -110.136896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.136896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.136896 (E_RNA)
where:
Base-Base interactions energy: -54.808
where: short stacking energy: -27.461
Base-Backbone interact. energy: -0.381
local terms energy: -54.947827
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -4.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -80.430035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.430035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.430035 (E_RNA)
where:
Base-Base interactions energy: -25.583
where: short stacking energy: -23.573
Base-Backbone interact. energy: 0.167
local terms energy: -55.014367
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -3.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -93.124326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.124326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.124326 (E_RNA)
where:
Base-Base interactions energy: -45.097
where: short stacking energy: -34.453
Base-Backbone interact. energy: -1.254
local terms energy: -46.773312
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -9.457
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -5.188
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: 7
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -76.666917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.666917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.666917 (E_RNA)
where:
Base-Base interactions energy: -27.172
where: short stacking energy: -18.714
Base-Backbone interact. energy: -1.101
local terms energy: -48.393400
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -13.076
flat angles C4'-P-C4' energy: -6.385
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -3.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -229.313695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.313695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.313695 (E_RNA)
where:
Base-Base interactions energy: -156.315
where: short stacking energy: -63.904
Base-Backbone interact. energy: -0.774
local terms energy: -72.224568
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -11.649
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: 8
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -219.201325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.201325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.201325 (E_RNA)
where:
Base-Base interactions energy: -144.416
where: short stacking energy: -72.635
Base-Backbone interact. energy: -0.069
local terms energy: -74.716731
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -19.746
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: 2
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -213.924587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.924587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.924587 (E_RNA)
where:
Base-Base interactions energy: -143.060
where: short stacking energy: -59.937
Base-Backbone interact. energy: -0.118
local terms energy: -70.746136
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -12.270
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: 4, replica: 6
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -212.751910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.751910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.751910 (E_RNA)
where:
Base-Base interactions energy: -137.725
where: short stacking energy: -64.135
Base-Backbone interact. energy: -1.657
local terms energy: -73.370147
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -10.768
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -13.155
tors. eta vs tors. theta energy: -18.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -160.807299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.807299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.807299 (E_RNA)
where:
Base-Base interactions energy: -100.508
where: short stacking energy: -41.914
Base-Backbone interact. energy: -0.275
local terms energy: -60.024981
where:
bonds (distance) C4'-P energy: -11.696
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -10.451
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: 6, replica: 3
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -151.005644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.005644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.005644 (E_RNA)
where:
Base-Base interactions energy: -89.510
where: short stacking energy: -44.558
Base-Backbone interact. energy: -0.158
local terms energy: -61.338202
where:
bonds (distance) C4'-P energy: -9.974
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -9.823
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: 7, replica: 4
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -89.926057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.926057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.926057 (E_RNA)
where:
Base-Base interactions energy: -37.957
where: short stacking energy: -36.292
Base-Backbone interact. energy: -0.303
local terms energy: -51.666233
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -7.265
tors. eta vs tors. theta energy: -4.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -92.007056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.007056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.007056 (E_RNA)
where:
Base-Base interactions energy: -34.048
where: short stacking energy: -34.048
Base-Backbone interact. energy: 1.429
local terms energy: -59.387314
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -5.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -85.048829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.048829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.048829 (E_RNA)
where:
Base-Base interactions energy: -39.924
where: short stacking energy: -33.759
Base-Backbone interact. energy: -0.058
local terms energy: -45.067553
where:
bonds (distance) C4'-P energy: -11.179
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -4.341
tors. eta vs tors. theta energy: -0.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -85.611582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.611582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.611582 (E_RNA)
where:
Base-Base interactions energy: -32.024
where: short stacking energy: -32.124
Base-Backbone interact. energy: -0.867
local terms energy: -52.719906
where:
bonds (distance) C4'-P energy: -9.320
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -6.218
tors. eta vs tors. theta energy: -9.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -222.448716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.448716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.448716 (E_RNA)
where:
Base-Base interactions energy: -154.881
where: short stacking energy: -60.885
Base-Backbone interact. energy: -0.027
local terms energy: -67.540625
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -16.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -221.846809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.846809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.846809 (E_RNA)
where:
Base-Base interactions energy: -142.236
where: short stacking energy: -56.952
Base-Backbone interact. energy: -1.328
local terms energy: -78.282359
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -21.643
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: 3, replica: 2
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -226.613588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.613588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.613588 (E_RNA)
where:
Base-Base interactions energy: -154.355
where: short stacking energy: -69.805
Base-Backbone interact. energy: -0.010
local terms energy: -72.249202
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -17.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -209.447780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.447780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.447780 (E_RNA)
where:
Base-Base interactions energy: -140.616
where: short stacking energy: -51.742
Base-Backbone interact. energy: -2.532
local terms energy: -66.300221
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -4.646
tors. eta vs tors. theta energy: -17.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -156.915506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.915506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.915506 (E_RNA)
where:
Base-Base interactions energy: -100.499
where: short stacking energy: -36.084
Base-Backbone interact. energy: -0.591
local terms energy: -55.826352
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -5.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -157.893415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.893415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.893415 (E_RNA)
where:
Base-Base interactions energy: -92.782
where: short stacking energy: -46.292
Base-Backbone interact. energy: -0.007
local terms energy: -65.104436
where:
bonds (distance) C4'-P energy: -10.033
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -10.963
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: 7, replica: 4
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -90.404611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.404611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.404611 (E_RNA)
where:
Base-Base interactions energy: -44.952
where: short stacking energy: -31.814
Base-Backbone interact. energy: -0.363
local terms energy: -45.089684
where:
bonds (distance) C4'-P energy: -4.137
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -2.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -77.522293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.522293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.522293 (E_RNA)
where:
Base-Base interactions energy: -29.680
where: short stacking energy: -29.517
Base-Backbone interact. energy: 0.373
local terms energy: -48.215131
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -10.377
flat angles C4'-P-C4' energy: -11.814
flat angles P-C4'-P energy: -5.476
tors. eta vs tors. theta energy: -5.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -83.147965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.147965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.147965 (E_RNA)
where:
Base-Base interactions energy: -26.487
where: short stacking energy: -24.172
Base-Backbone interact. energy: -0.951
local terms energy: -55.709715
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -1.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -89.056228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.056228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.056228 (E_RNA)
where:
Base-Base interactions energy: -27.986
where: short stacking energy: -27.986
Base-Backbone interact. energy: -0.196
local terms energy: -60.874387
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -15.951
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -9.386
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: 1, replica: 5
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -221.591111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.591111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.591111 (E_RNA)
where:
Base-Base interactions energy: -147.842
where: short stacking energy: -60.417
Base-Backbone interact. energy: -0.098
local terms energy: -73.650920
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -6.970
tors. eta vs tors. theta energy: -17.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -221.792174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.792174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.792174 (E_RNA)
where:
Base-Base interactions energy: -150.965
where: short stacking energy: -50.806
Base-Backbone interact. energy: -0.555
local terms energy: -70.272442
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -10.907
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: 2
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -222.725316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.725316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.725316 (E_RNA)
where:
Base-Base interactions energy: -148.707
where: short stacking energy: -70.549
Base-Backbone interact. energy: -0.099
local terms energy: -73.918664
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -8.862
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: 4, replica: 6
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -207.224141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.224141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.224141 (E_RNA)
where:
Base-Base interactions energy: -139.318
where: short stacking energy: -56.512
Base-Backbone interact. energy: -0.137
local terms energy: -67.768694
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -11.095
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -18.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -177.623805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.623805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.623805 (E_RNA)
where:
Base-Base interactions energy: -113.098
where: short stacking energy: -61.954
Base-Backbone interact. energy: 0.207
local terms energy: -64.733418
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -8.771
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: 6, replica: 9
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -138.451129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.451129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.451129 (E_RNA)
where:
Base-Base interactions energy: -89.398
where: short stacking energy: -35.296
Base-Backbone interact. energy: -0.216
local terms energy: -48.836537
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -13.516
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: 0.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -102.519195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.519195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.519195 (E_RNA)
where:
Base-Base interactions energy: -38.625
where: short stacking energy: -35.454
Base-Backbone interact. energy: -0.245
local terms energy: -63.649179
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -10.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -89.084073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.084073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.084073 (E_RNA)
where:
Base-Base interactions energy: -41.139
where: short stacking energy: -32.220
Base-Backbone interact. energy: -0.166
local terms energy: -47.778798
where:
bonds (distance) C4'-P energy: -7.363
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -6.109
tors. eta vs tors. theta energy: -5.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -80.463166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.463166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.463166 (E_RNA)
where:
Base-Base interactions energy: -35.135
where: short stacking energy: -24.359
Base-Backbone interact. energy: -0.201
local terms energy: -45.127871
where:
bonds (distance) C4'-P energy: -8.498
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -0.327
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: 10, replica: 7
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -88.644275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.644275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.644275 (E_RNA)
where:
Base-Base interactions energy: -36.180
where: short stacking energy: -28.881
Base-Backbone interact. energy: 0.070
local terms energy: -52.533939
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -11.574
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -3.941
tors. eta vs tors. theta energy: -6.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -224.419164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.419164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.419164 (E_RNA)
where:
Base-Base interactions energy: -148.793
where: short stacking energy: -59.201
Base-Backbone interact. energy: -0.355
local terms energy: -75.271135
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -6.729
tors. eta vs tors. theta energy: -20.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -220.993949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.993949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.993949 (E_RNA)
where:
Base-Base interactions energy: -142.642
where: short stacking energy: -59.411
Base-Backbone interact. energy: -1.064
local terms energy: -77.287534
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -20.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -213.065845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.065845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.065845 (E_RNA)
where:
Base-Base interactions energy: -139.885
where: short stacking energy: -54.475
Base-Backbone interact. energy: -0.024
local terms energy: -73.156704
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -17.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -204.799685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.799685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.799685 (E_RNA)
where:
Base-Base interactions energy: -138.327
where: short stacking energy: -62.157
Base-Backbone interact. energy: -0.340
local terms energy: -66.132674
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -14.196
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -15.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -176.776750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.776750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.776750 (E_RNA)
where:
Base-Base interactions energy: -104.373
where: short stacking energy: -55.357
Base-Backbone interact. energy: -0.852
local terms energy: -71.550932
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -13.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -151.499986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.499986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.499986 (E_RNA)
where:
Base-Base interactions energy: -96.676
where: short stacking energy: -42.112
Base-Backbone interact. energy: -0.170
local terms energy: -54.653543
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -11.217
flat angles P-C4'-P energy: -6.763
tors. eta vs tors. theta energy: -9.634
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: 10
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -93.295298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.295298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.295298 (E_RNA)
where:
Base-Base interactions energy: -36.268
where: short stacking energy: -36.268
Base-Backbone interact. energy: -0.072
local terms energy: -56.955114
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -7.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -98.427793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.427793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.427793 (E_RNA)
where:
Base-Base interactions energy: -51.904
where: short stacking energy: -46.749
Base-Backbone interact. energy: -0.106
local terms energy: -46.418649
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -9.218
flat angles C4'-P-C4' energy: -17.586
flat angles P-C4'-P energy: -1.944
tors. eta vs tors. theta energy: -6.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -87.896067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.896067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.896067 (E_RNA)
where:
Base-Base interactions energy: -42.909
where: short stacking energy: -27.745
Base-Backbone interact. energy: 0.314
local terms energy: -45.301711
where:
bonds (distance) C4'-P energy: -8.181
bonds (distance) P-C4' energy: -10.924
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -1.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -82.221288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.221288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.221288 (E_RNA)
where:
Base-Base interactions energy: -27.988
where: short stacking energy: -23.148
Base-Backbone interact. energy: -0.124
local terms energy: -54.108542
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -3.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -228.506644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.506644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.506644 (E_RNA)
where:
Base-Base interactions energy: -153.911
where: short stacking energy: -76.944
Base-Backbone interact. energy: -0.014
local terms energy: -74.581959
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -18.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -224.531878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.531878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.531878 (E_RNA)
where:
Base-Base interactions energy: -157.991
where: short stacking energy: -60.370
Base-Backbone interact. energy: -0.018
local terms energy: -66.522361
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -13.338
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -8.175
tors. eta vs tors. theta energy: -18.139
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: 3, replica: 8
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -213.585609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.585609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.585609 (E_RNA)
where:
Base-Base interactions energy: -141.541
where: short stacking energy: -47.209
Base-Backbone interact. energy: -0.839
local terms energy: -71.205111
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -14.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -210.461740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.461740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.461740 (E_RNA)
where:
Base-Base interactions energy: -138.575
where: short stacking energy: -54.126
Base-Backbone interact. energy: -0.163
local terms energy: -71.723768
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -11.446
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: 5, replica: 9
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -145.091627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.091627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.091627 (E_RNA)
where:
Base-Base interactions energy: -91.790
where: short stacking energy: -40.284
Base-Backbone interact. energy: -0.578
local terms energy: -52.724424
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -11.583
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -7.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -157.874774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.874774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.874774 (E_RNA)
where:
Base-Base interactions energy: -94.124
where: short stacking energy: -50.333
Base-Backbone interact. energy: -0.066
local terms energy: -63.685664
where:
bonds (distance) C4'-P energy: -12.175
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -10.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -112.114566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.114566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.114566 (E_RNA)
where:
Base-Base interactions energy: -57.276
where: short stacking energy: -39.099
Base-Backbone interact. energy: -0.099
local terms energy: -54.739940
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -2.612
tors. eta vs tors. theta energy: -9.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -90.237905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.237905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.237905 (E_RNA)
where:
Base-Base interactions energy: -48.095
where: short stacking energy: -31.987
Base-Backbone interact. energy: -0.230
local terms energy: -41.912444
where:
bonds (distance) C4'-P energy: -5.943
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -11.219
flat angles P-C4'-P energy: -6.325
tors. eta vs tors. theta energy: -3.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -92.285209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.285209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.285209 (E_RNA)
where:
Base-Base interactions energy: -39.530
where: short stacking energy: -37.319
Base-Backbone interact. energy: -0.089
local terms energy: -52.666097
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -8.795
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -5.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -75.240413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.240413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.240413 (E_RNA)
where:
Base-Base interactions energy: -33.039
where: short stacking energy: -20.187
Base-Backbone interact. energy: -0.098
local terms energy: -42.103858
where:
bonds (distance) C4'-P energy: -9.544
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -10.609
flat angles P-C4'-P energy: -4.714
tors. eta vs tors. theta energy: 1.243
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: 2
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -224.560428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.560428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.560428 (E_RNA)
where:
Base-Base interactions energy: -151.531
where: short stacking energy: -64.802
Base-Backbone interact. energy: -0.097
local terms energy: -72.932251
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -10.373
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: 8
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -219.797925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.797925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.797925 (E_RNA)
where:
Base-Base interactions energy: -136.875
where: short stacking energy: -64.828
Base-Backbone interact. energy: -0.516
local terms energy: -82.407416
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -16.772
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -19.648
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: 5
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -215.092046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.092046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.092046 (E_RNA)
where:
Base-Base interactions energy: -137.910
where: short stacking energy: -64.573
Base-Backbone interact. energy: -0.002
local terms energy: -77.179882
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -22.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -211.580548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.580548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.580548 (E_RNA)
where:
Base-Base interactions energy: -136.190
where: short stacking energy: -57.236
Base-Backbone interact. energy: -0.363
local terms energy: -75.027390
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -12.980
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: 5, replica: 9
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -159.604065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.604065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.604065 (E_RNA)
where:
Base-Base interactions energy: -103.543
where: short stacking energy: -41.849
Base-Backbone interact. energy: -0.206
local terms energy: -55.855579
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -4.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -165.846735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.846735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.846735 (E_RNA)
where:
Base-Base interactions energy: -115.098
where: short stacking energy: -51.277
Base-Backbone interact. energy: -0.266
local terms energy: -50.483357
where:
bonds (distance) C4'-P energy: -9.817
bonds (distance) P-C4' energy: -10.478
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -10.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -106.885089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.885089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.885089 (E_RNA)
where:
Base-Base interactions energy: -49.450
where: short stacking energy: -31.132
Base-Backbone interact. energy: -0.253
local terms energy: -57.182348
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -15.003
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -9.051
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: 8, replica: 1
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -92.036378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.036378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.036378 (E_RNA)
where:
Base-Base interactions energy: -46.974
where: short stacking energy: -38.937
Base-Backbone interact. energy: -0.345
local terms energy: -44.717223
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -9.700
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -3.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -77.011329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.011329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.011329 (E_RNA)
where:
Base-Base interactions energy: -29.949
where: short stacking energy: -29.949
Base-Backbone interact. energy: -0.001
local terms energy: -47.061196
where:
bonds (distance) C4'-P energy: -9.984
bonds (distance) P-C4' energy: -10.162
flat angles C4'-P-C4' energy: -11.683
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -6.352
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: 7
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -94.101147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.101147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.101147 (E_RNA)
where:
Base-Base interactions energy: -45.514
where: short stacking energy: -19.824
Base-Backbone interact. energy: -0.644
local terms energy: -47.943117
where:
bonds (distance) C4'-P energy: -10.050
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -6.444
tors. eta vs tors. theta energy: -3.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -219.548547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.548547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.548547 (E_RNA)
where:
Base-Base interactions energy: -141.883
where: short stacking energy: -64.088
Base-Backbone interact. energy: 0.306
local terms energy: -77.971940
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -21.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -219.613136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.613136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.613136 (E_RNA)
where:
Base-Base interactions energy: -144.285
where: short stacking energy: -70.263
Base-Backbone interact. energy: -0.019
local terms energy: -75.309234
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -14.200
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -20.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -216.993065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.993065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.993065 (E_RNA)
where:
Base-Base interactions energy: -148.372
where: short stacking energy: -69.471
Base-Backbone interact. energy: -0.000
local terms energy: -68.620359
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -11.011
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: 4, replica: 5
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -214.579420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.579420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.579420 (E_RNA)
where:
Base-Base interactions energy: -140.319
where: short stacking energy: -67.730
Base-Backbone interact. energy: -0.206
local terms energy: -74.054213
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -11.292
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -19.452
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: 3
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -158.848843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.848843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.848843 (E_RNA)
where:
Base-Base interactions energy: -93.654
where: short stacking energy: -47.956
Base-Backbone interact. energy: -0.166
local terms energy: -65.028536
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -6.152
tors. eta vs tors. theta energy: -15.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -159.874037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.874037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.874037 (E_RNA)
where:
Base-Base interactions energy: -106.048
where: short stacking energy: -43.372
Base-Backbone interact. energy: -0.434
local terms energy: -53.392632
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -11.118
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -8.272
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: 1
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -90.862208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.862208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.862208 (E_RNA)
where:
Base-Base interactions energy: -40.432
where: short stacking energy: -32.041
Base-Backbone interact. energy: -0.106
local terms energy: -50.324885
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -9.394
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -2.556
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: 8, replica: 4
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -91.571564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.571564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.571564 (E_RNA)
where:
Base-Base interactions energy: -42.393
where: short stacking energy: -39.903
Base-Backbone interact. energy: 0.195
local terms energy: -49.373690
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -6.062
tors. eta vs tors. theta energy: -3.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -91.560401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.560401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.560401 (E_RNA)
where:
Base-Base interactions energy: -40.198
where: short stacking energy: -40.198
Base-Backbone interact. energy: -0.025
local terms energy: -51.337573
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -11.202
flat angles C4'-P-C4' energy: -11.338
flat angles P-C4'-P energy: -5.990
tors. eta vs tors. theta energy: -9.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -83.316170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.316170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.316170 (E_RNA)
where:
Base-Base interactions energy: -28.487
where: short stacking energy: -17.934
Base-Backbone interact. energy: -0.123
local terms energy: -54.705734
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -12.008
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -3.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -224.370725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.370725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.370725 (E_RNA)
where:
Base-Base interactions energy: -149.769
where: short stacking energy: -73.390
Base-Backbone interact. energy: -0.253
local terms energy: -74.349079
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -20.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -207.875594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.875594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.875594 (E_RNA)
where:
Base-Base interactions energy: -140.428
where: short stacking energy: -66.680
Base-Backbone interact. energy: -0.118
local terms energy: -67.329975
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -14.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -214.861128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.861128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.861128 (E_RNA)
where:
Base-Base interactions energy: -143.826
where: short stacking energy: -61.036
Base-Backbone interact. energy: -0.452
local terms energy: -70.582774
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: -16.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -213.534282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.534282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.534282 (E_RNA)
where:
Base-Base interactions energy: -143.523
where: short stacking energy: -72.669
Base-Backbone interact. energy: -0.110
local terms energy: -69.901381
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -19.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -165.906703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.906703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.906703 (E_RNA)
where:
Base-Base interactions energy: -108.825
where: short stacking energy: -43.453
Base-Backbone interact. energy: -0.402
local terms energy: -56.679504
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -10.628
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -8.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -158.078896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.078896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.078896 (E_RNA)
where:
Base-Base interactions energy: -90.320
where: short stacking energy: -48.628
Base-Backbone interact. energy: -0.585
local terms energy: -67.174324
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -5.946
tors. eta vs tors. theta energy: -11.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -147.424536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.424536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.424536 (E_RNA)
where:
Base-Base interactions energy: -84.192
where: short stacking energy: -43.609
Base-Backbone interact. energy: -0.574
local terms energy: -62.658758
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -12.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -85.879569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.879569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.879569 (E_RNA)
where:
Base-Base interactions energy: -33.386
where: short stacking energy: -27.639
Base-Backbone interact. energy: -0.159
local terms energy: -52.334166
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -6.090
tors. eta vs tors. theta energy: -6.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -86.876401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.876401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.876401 (E_RNA)
where:
Base-Base interactions energy: -40.376
where: short stacking energy: -33.135
Base-Backbone interact. energy: -0.459
local terms energy: -46.040984
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -8.619
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -2.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -77.429432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.429432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.429432 (E_RNA)
where:
Base-Base interactions energy: -37.012
where: short stacking energy: -31.579
Base-Backbone interact. energy: -0.742
local terms energy: -39.675793
where:
bonds (distance) C4'-P energy: -6.067
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -8.007
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -4.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -231.501299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.501299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.501299 (E_RNA)
where:
Base-Base interactions energy: -146.807
where: short stacking energy: -71.600
Base-Backbone interact. energy: -0.005
local terms energy: -84.688716
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -18.927
flat angles P-C4'-P energy: -14.449
tors. eta vs tors. theta energy: -19.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -217.811588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.811588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.811588 (E_RNA)
where:
Base-Base interactions energy: -153.223
where: short stacking energy: -53.438
Base-Backbone interact. energy: -0.576
local terms energy: -64.012431
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -6.154
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: 288
Temperature: 1.000000
Total energy: -212.321450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.321450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.321450 (E_RNA)
where:
Base-Base interactions energy: -141.161
where: short stacking energy: -65.968
Base-Backbone interact. energy: -0.588
local terms energy: -70.571883
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -12.394
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: 5
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -204.571559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.571559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.571559 (E_RNA)
where:
Base-Base interactions energy: -138.664
where: short stacking energy: -69.616
Base-Backbone interact. energy: -0.090
local terms energy: -65.817814
where:
bonds (distance) C4'-P energy: -5.790
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -17.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -188.738163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.738163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.738163 (E_RNA)
where:
Base-Base interactions energy: -123.320
where: short stacking energy: -66.348
Base-Backbone interact. energy: -0.003
local terms energy: -65.415454
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -16.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -144.982426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.982426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.982426 (E_RNA)
where:
Base-Base interactions energy: -98.230
where: short stacking energy: -34.405
Base-Backbone interact. energy: 0.158
local terms energy: -46.910429
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -8.759
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -2.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -82.692934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.692934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.692934 (E_RNA)
where:
Base-Base interactions energy: -35.737
where: short stacking energy: -33.714
Base-Backbone interact. energy: -0.218
local terms energy: -46.738318
where:
bonds (distance) C4'-P energy: -7.699
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -5.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -149.323670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.323670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.323670 (E_RNA)
where:
Base-Base interactions energy: -88.341
where: short stacking energy: -44.333
Base-Backbone interact. energy: -0.883
local terms energy: -60.099377
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -8.264
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -8.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -94.543823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.543823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.543823 (E_RNA)
where:
Base-Base interactions energy: -46.712
where: short stacking energy: -32.875
Base-Backbone interact. energy: -0.959
local terms energy: -46.872260
where:
bonds (distance) C4'-P energy: -9.995
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -10.471
flat angles P-C4'-P energy: -3.242
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: 10, replica: 4
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -74.752724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.752724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.752724 (E_RNA)
where:
Base-Base interactions energy: -32.950
where: short stacking energy: -20.672
Base-Backbone interact. energy: -0.371
local terms energy: -41.431238
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -7.249
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: 0.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -230.466622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.466622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.466622 (E_RNA)
where:
Base-Base interactions energy: -142.585
where: short stacking energy: -67.241
Base-Backbone interact. energy: -0.950
local terms energy: -86.931954
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -17.777
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -21.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -213.505182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.505182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.505182 (E_RNA)
where:
Base-Base interactions energy: -143.535
where: short stacking energy: -61.462
Base-Backbone interact. energy: -0.071
local terms energy: -69.898779
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -17.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -216.482205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.482205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.482205 (E_RNA)
where:
Base-Base interactions energy: -143.048
where: short stacking energy: -58.565
Base-Backbone interact. energy: -1.547
local terms energy: -71.887456
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -16.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -217.211933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.211933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.211933 (E_RNA)
where:
Base-Base interactions energy: -145.413
where: short stacking energy: -63.757
Base-Backbone interact. energy: -0.015
local terms energy: -71.783538
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -20.611
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: 5, replica: 9
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -172.348784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.348784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.348784 (E_RNA)
where:
Base-Base interactions energy: -108.399
where: short stacking energy: -46.159
Base-Backbone interact. energy: -0.417
local terms energy: -63.532045
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -10.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -149.425618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.425618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.425618 (E_RNA)
where:
Base-Base interactions energy: -96.753
where: short stacking energy: -47.339
Base-Backbone interact. energy: -0.266
local terms energy: -52.406611
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -11.903
flat angles C4'-P-C4' energy: -8.705
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -10.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -89.352475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.352475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.352475 (E_RNA)
where:
Base-Base interactions energy: -50.603
where: short stacking energy: -28.761
Base-Backbone interact. energy: -0.079
local terms energy: -38.670462
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -10.213
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: 0.179
tors. eta vs tors. theta energy: -0.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -142.836185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.836185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.836185 (E_RNA)
where:
Base-Base interactions energy: -85.156
where: short stacking energy: -39.427
Base-Backbone interact. energy: -0.204
local terms energy: -57.476076
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -11.639
flat angles P-C4'-P energy: -10.785
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: 9, replica: 10
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -80.601724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.601724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.601724 (E_RNA)
where:
Base-Base interactions energy: -33.979
where: short stacking energy: -33.304
Base-Backbone interact. energy: -0.099
local terms energy: -46.523709
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -8.565
flat angles P-C4'-P energy: -5.902
tors. eta vs tors. theta energy: -1.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -77.760788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.760788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.760788 (E_RNA)
where:
Base-Base interactions energy: -22.800
where: short stacking energy: -21.440
Base-Backbone interact. energy: -1.012
local terms energy: -53.948263
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -17.152
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -6.519
tors. eta vs tors. theta energy: -3.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -218.602334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.602334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.602334 (E_RNA)
where:
Base-Base interactions energy: -148.804
where: short stacking energy: -64.157
Base-Backbone interact. energy: -1.260
local terms energy: -68.538263
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -11.391
flat angles C4'-P-C4' energy: -9.685
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -18.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -221.309844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.309844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.309844 (E_RNA)
where:
Base-Base interactions energy: -150.708
where: short stacking energy: -69.127
Base-Backbone interact. energy: -0.048
local terms energy: -70.553966
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -6.865
tors. eta vs tors. theta energy: -23.047
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: 5
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -200.577568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.577568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.577568 (E_RNA)
where:
Base-Base interactions energy: -135.370
where: short stacking energy: -54.575
Base-Backbone interact. energy: -0.067
local terms energy: -65.141381
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -17.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -220.315683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.315683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.315683 (E_RNA)
where:
Base-Base interactions energy: -142.907
where: short stacking energy: -64.417
Base-Backbone interact. energy: -0.492
local terms energy: -76.915839
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -19.697
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: 9
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -169.380528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.380528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.380528 (E_RNA)
where:
Base-Base interactions energy: -100.436
where: short stacking energy: -50.139
Base-Backbone interact. energy: -0.138
local terms energy: -68.806651
where:
bonds (distance) C4'-P energy: -17.206
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -12.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -136.712117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.712117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.712117 (E_RNA)
where:
Base-Base interactions energy: -78.126
where: short stacking energy: -42.330
Base-Backbone interact. energy: -0.227
local terms energy: -58.359150
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -11.319
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -7.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -148.256696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.256696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.256696 (E_RNA)
where:
Base-Base interactions energy: -91.323
where: short stacking energy: -48.521
Base-Backbone interact. energy: -0.028
local terms energy: -56.904800
where:
bonds (distance) C4'-P energy: -10.103
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -10.802
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: 8, replica: 7
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -80.216847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.216847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.216847 (E_RNA)
where:
Base-Base interactions energy: -31.561
where: short stacking energy: -27.751
Base-Backbone interact. energy: -0.095
local terms energy: -48.561016
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -9.619
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -0.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -81.389712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.389712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.389712 (E_RNA)
where:
Base-Base interactions energy: -31.104
where: short stacking energy: -28.150
Base-Backbone interact. energy: -0.405
local terms energy: -49.880827
where:
bonds (distance) C4'-P energy: -7.909
bonds (distance) P-C4' energy: -14.263
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -3.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -75.456164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.456164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.456164 (E_RNA)
where:
Base-Base interactions energy: -26.109
where: short stacking energy: -21.798
Base-Backbone interact. energy: -0.019
local terms energy: -49.328711
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -10.365
flat angles P-C4'-P energy: -5.650
tors. eta vs tors. theta energy: -4.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -223.383327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.383327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.383327 (E_RNA)
where:
Base-Base interactions energy: -144.372
where: short stacking energy: -73.460
Base-Backbone interact. energy: -0.324
local terms energy: -78.687003
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -22.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -208.871375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.871375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.871375 (E_RNA)
where:
Base-Base interactions energy: -134.791
where: short stacking energy: -55.469
Base-Backbone interact. energy: -2.234
local terms energy: -71.846183
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -11.452
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: 3, replica: 6
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -214.566208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.566208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.566208 (E_RNA)
where:
Base-Base interactions energy: -141.964
where: short stacking energy: -66.812
Base-Backbone interact. energy: -0.006
local terms energy: -72.596024
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -10.909
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: 4, replica: 8
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -223.394837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.394837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.394837 (E_RNA)
where:
Base-Base interactions energy: -143.649
where: short stacking energy: -65.729
Base-Backbone interact. energy: -0.924
local terms energy: -78.822249
where:
bonds (distance) C4'-P energy: -17.211
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -19.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -160.842351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.842351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.842351 (E_RNA)
where:
Base-Base interactions energy: -99.786
where: short stacking energy: -57.878
Base-Backbone interact. energy: -0.247
local terms energy: -60.809728
where:
bonds (distance) C4'-P energy: -5.148
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -11.262
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: 6, replica: 1
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -126.011111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.011111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.011111 (E_RNA)
where:
Base-Base interactions energy: -71.918
where: short stacking energy: -26.169
Base-Backbone interact. energy: 0.171
local terms energy: -54.264759
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -14.025
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -7.598
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: 7, replica: 3
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -128.915650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.915650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.915650 (E_RNA)
where:
Base-Base interactions energy: -72.415
where: short stacking energy: -39.675
Base-Backbone interact. energy: -0.356
local terms energy: -56.144782
where:
bonds (distance) C4'-P energy: -9.736
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -6.409
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: 4
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -95.105141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.105141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.105141 (E_RNA)
where:
Base-Base interactions energy: -39.470
where: short stacking energy: -39.470
Base-Backbone interact. energy: 1.123
local terms energy: -56.757595
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -6.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -83.600074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.600074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.600074 (E_RNA)
where:
Base-Base interactions energy: -33.508
where: short stacking energy: -29.854
Base-Backbone interact. energy: -0.069
local terms energy: -50.023190
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -11.028
flat angles P-C4'-P energy: -6.914
tors. eta vs tors. theta energy: -2.354
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: 10
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -88.623240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.623240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.623240 (E_RNA)
where:
Base-Base interactions energy: -36.893
where: short stacking energy: -29.316
Base-Backbone interact. energy: -0.608
local terms energy: -51.122333
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -9.904
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -2.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -219.754311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.754311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.754311 (E_RNA)
where:
Base-Base interactions energy: -153.428
where: short stacking energy: -61.601
Base-Backbone interact. energy: -0.253
local terms energy: -66.072991
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -5.632
tors. eta vs tors. theta energy: -14.175
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: 2
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -217.927228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.927228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.927228 (E_RNA)
where:
Base-Base interactions energy: -138.013
where: short stacking energy: -69.051
Base-Backbone interact. energy: -0.207
local terms energy: -79.707194
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -21.501
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: 292
Temperature: 1.000000
Total energy: -216.585904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.585904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.585904 (E_RNA)
where:
Base-Base interactions energy: -143.663
where: short stacking energy: -63.332
Base-Backbone interact. energy: -0.063
local terms energy: -72.860282
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -7.364
tors. eta vs tors. theta energy: -21.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -209.399753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.399753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.399753 (E_RNA)
where:
Base-Base interactions energy: -137.717
where: short stacking energy: -53.629
Base-Backbone interact. energy: -2.112
local terms energy: -69.570691
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -17.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -137.878855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.878855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.878855 (E_RNA)
where:
Base-Base interactions energy: -81.536
where: short stacking energy: -41.020
Base-Backbone interact. energy: -0.042
local terms energy: -56.301430
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -8.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -161.470632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.470632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.470632 (E_RNA)
where:
Base-Base interactions energy: -97.467
where: short stacking energy: -48.322
Base-Backbone interact. energy: -0.094
local terms energy: -63.909671
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -14.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -87.651771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.651771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.651771 (E_RNA)
where:
Base-Base interactions energy: -35.472
where: short stacking energy: -25.672
Base-Backbone interact. energy: -0.483
local terms energy: -51.697090
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -8.236
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -4.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -103.358123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.358123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.358123 (E_RNA)
where:
Base-Base interactions energy: -44.974
where: short stacking energy: -44.974
Base-Backbone interact. energy: -0.118
local terms energy: -58.266697
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -12.294
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -6.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -83.732348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.732348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.732348 (E_RNA)
where:
Base-Base interactions energy: -31.355
where: short stacking energy: -27.724
Base-Backbone interact. energy: -0.077
local terms energy: -52.301029
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -11.060
flat angles P-C4'-P energy: -5.789
tors. eta vs tors. theta energy: -4.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -77.109780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.109780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.109780 (E_RNA)
where:
Base-Base interactions energy: -31.713
where: short stacking energy: -28.141
Base-Backbone interact. energy: 0.837
local terms energy: -46.234085
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -11.981
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -6.953
tors. eta vs tors. theta energy: -2.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -219.685426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.685426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.685426 (E_RNA)
where:
Base-Base interactions energy: -146.621
where: short stacking energy: -59.683
Base-Backbone interact. energy: -0.367
local terms energy: -72.697482
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -18.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -222.402840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.402840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.402840 (E_RNA)
where:
Base-Base interactions energy: -143.112
where: short stacking energy: -66.637
Base-Backbone interact. energy: -0.381
local terms energy: -78.910195
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -22.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -216.913614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.913614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.913614 (E_RNA)
where:
Base-Base interactions energy: -146.919
where: short stacking energy: -70.625
Base-Backbone interact. energy: -0.069
local terms energy: -69.925122
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -10.528
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -19.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -208.842954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.842954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.842954 (E_RNA)
where:
Base-Base interactions energy: -144.384
where: short stacking energy: -52.671
Base-Backbone interact. energy: -0.151
local terms energy: -64.308209
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -13.471
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: 1
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -152.697801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.697801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.697801 (E_RNA)
where:
Base-Base interactions energy: -93.712
where: short stacking energy: -43.719
Base-Backbone interact. energy: -0.893
local terms energy: -58.091962
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -10.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -148.571690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.571690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.571690 (E_RNA)
where:
Base-Base interactions energy: -95.808
where: short stacking energy: -48.726
Base-Backbone interact. energy: -0.021
local terms energy: -52.742452
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -6.782
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -8.206
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: 3
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -84.421933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.421933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.421933 (E_RNA)
where:
Base-Base interactions energy: -40.322
where: short stacking energy: -26.614
Base-Backbone interact. energy: -0.875
local terms energy: -43.225003
where:
bonds (distance) C4'-P energy: -10.183
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -1.904
tors. eta vs tors. theta energy: 0.561
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: 10
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -97.634717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.634717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.634717 (E_RNA)
where:
Base-Base interactions energy: -42.984
where: short stacking energy: -32.122
Base-Backbone interact. energy: -1.417
local terms energy: -53.233415
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -8.325
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -7.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -79.376188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.376188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.376188 (E_RNA)
where:
Base-Base interactions energy: -27.699
where: short stacking energy: -27.699
Base-Backbone interact. energy: -0.100
local terms energy: -51.576686
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -2.044
tors. eta vs tors. theta energy: -4.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -84.199053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.199053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.199053 (E_RNA)
where:
Base-Base interactions energy: -35.285
where: short stacking energy: -28.531
Base-Backbone interact. energy: -0.243
local terms energy: -48.671433
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: 1.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -222.472609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.472609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.472609 (E_RNA)
where:
Base-Base interactions energy: -141.852
where: short stacking energy: -70.935
Base-Backbone interact. energy: -0.004
local terms energy: -80.616152
where:
bonds (distance) C4'-P energy: -16.270
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -18.412
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -20.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -214.408462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.408462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.408462 (E_RNA)
where:
Base-Base interactions energy: -140.431
where: short stacking energy: -74.563
Base-Backbone interact. energy: -0.086
local terms energy: -73.891277
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -21.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -213.611247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.611247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.611247 (E_RNA)
where:
Base-Base interactions energy: -144.121
where: short stacking energy: -57.218
Base-Backbone interact. energy: -2.105
local terms energy: -67.384742
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -19.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -206.209197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.209197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.209197 (E_RNA)
where:
Base-Base interactions energy: -143.496
where: short stacking energy: -56.258
Base-Backbone interact. energy: -0.464
local terms energy: -62.249865
where:
bonds (distance) C4'-P energy: -9.527
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -14.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -163.398411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.398411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.398411 (E_RNA)
where:
Base-Base interactions energy: -104.528
where: short stacking energy: -53.289
Base-Backbone interact. energy: -0.197
local terms energy: -58.672832
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -10.433
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: 6, replica: 1
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -154.600134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.600134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.600134 (E_RNA)
where:
Base-Base interactions energy: -94.888
where: short stacking energy: -35.304
Base-Backbone interact. energy: -1.042
local terms energy: -58.670124
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -17.318
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -6.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -85.356388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.356388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.356388 (E_RNA)
where:
Base-Base interactions energy: -30.084
where: short stacking energy: -27.762
Base-Backbone interact. energy: -0.090
local terms energy: -55.182338
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -6.202
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: 8, replica: 3
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -101.460993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.460993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.460993 (E_RNA)
where:
Base-Base interactions energy: -47.383
where: short stacking energy: -46.099
Base-Backbone interact. energy: -0.317
local terms energy: -53.760926
where:
bonds (distance) C4'-P energy: -8.872
bonds (distance) P-C4' energy: -14.048
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -9.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -86.097707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.097707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.097707 (E_RNA)
where:
Base-Base interactions energy: -38.382
where: short stacking energy: -37.972
Base-Backbone interact. energy: -0.136
local terms energy: -47.579800
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: 0.421
tors. eta vs tors. theta energy: -5.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -82.420426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.420426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.420426 (E_RNA)
where:
Base-Base interactions energy: -38.967
where: short stacking energy: -25.656
Base-Backbone interact. energy: -0.142
local terms energy: -43.311841
where:
bonds (distance) C4'-P energy: -7.631
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -9.933
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -2.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -226.799454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.799454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.799454 (E_RNA)
where:
Base-Base interactions energy: -141.622
where: short stacking energy: -71.043
Base-Backbone interact. energy: -0.050
local terms energy: -85.128253
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -24.039
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: 5
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -217.954476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.954476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.954476 (E_RNA)
where:
Base-Base interactions energy: -143.548
where: short stacking energy: -67.636
Base-Backbone interact. energy: -0.032
local terms energy: -74.374202
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -18.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -214.988263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.988263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.988263 (E_RNA)
where:
Base-Base interactions energy: -146.723
where: short stacking energy: -54.942
Base-Backbone interact. energy: -0.959
local terms energy: -67.306382
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -2.925
tors. eta vs tors. theta energy: -18.058
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: 4, replica: 9
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -177.713016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.713016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.713016 (E_RNA)
where:
Base-Base interactions energy: -109.155
where: short stacking energy: -54.321
Base-Backbone interact. energy: -0.003
local terms energy: -68.554900
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -5.943
tors. eta vs tors. theta energy: -13.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -199.978917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.978917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.978917 (E_RNA)
where:
Base-Base interactions energy: -133.853
where: short stacking energy: -49.003
Base-Backbone interact. energy: -0.359
local terms energy: -65.766772
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -10.482
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -12.913
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: 1
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -160.419662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.419662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.419662 (E_RNA)
where:
Base-Base interactions energy: -107.807
where: short stacking energy: -53.588
Base-Backbone interact. energy: -0.103
local terms energy: -52.510162
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -8.514
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -8.645
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: 7, replica: 10
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -130.470176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.470176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.470176 (E_RNA)
where:
Base-Base interactions energy: -71.208
where: short stacking energy: -39.699
Base-Backbone interact. energy: -0.230
local terms energy: -59.031313
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -10.788
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -7.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -90.900634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.900634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.900634 (E_RNA)
where:
Base-Base interactions energy: -41.756
where: short stacking energy: -41.756
Base-Backbone interact. energy: -0.064
local terms energy: -49.081020
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -10.556
flat angles C4'-P-C4' energy: -11.628
flat angles P-C4'-P energy: -5.084
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: 9, replica: 4
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -77.294394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.294394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.294394 (E_RNA)
where:
Base-Base interactions energy: -32.772
where: short stacking energy: -22.993
Base-Backbone interact. energy: -0.285
local terms energy: -44.236777
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -6.091
tors. eta vs tors. theta energy: 2.553
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: 7
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -76.331538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.331538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.331538 (E_RNA)
where:
Base-Base interactions energy: -33.738
where: short stacking energy: -33.738
Base-Backbone interact. energy: -0.479
local terms energy: -42.114567
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -4.695
flat angles P-C4'-P energy: -2.973
tors. eta vs tors. theta energy: -6.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -216.133384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.133384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.133384 (E_RNA)
where:
Base-Base interactions energy: -139.364
where: short stacking energy: -59.537
Base-Backbone interact. energy: -0.002
local terms energy: -76.767719
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -12.292
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: 2, replica: 8
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -221.914120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.914120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.914120 (E_RNA)
where:
Base-Base interactions energy: -147.082
where: short stacking energy: -67.042
Base-Backbone interact. energy: -0.016
local terms energy: -74.816179
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: -19.899
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: 3, replica: 6
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -224.691690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.691690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.691690 (E_RNA)
where:
Base-Base interactions energy: -150.533
where: short stacking energy: -60.713
Base-Backbone interact. energy: -0.341
local terms energy: -73.818000
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -18.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -173.091764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.091764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.091764 (E_RNA)
where:
Base-Base interactions energy: -106.523
where: short stacking energy: -51.211
Base-Backbone interact. energy: 0.288
local terms energy: -66.857182
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -9.924
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: 5, replica: 2
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -197.917327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.917327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.917327 (E_RNA)
where:
Base-Base interactions energy: -134.538
where: short stacking energy: -54.499
Base-Backbone interact. energy: -0.377
local terms energy: -63.003164
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: -12.952
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: 1
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -148.105507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.105507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.105507 (E_RNA)
where:
Base-Base interactions energy: -92.623
where: short stacking energy: -59.227
Base-Backbone interact. energy: -0.126
local terms energy: -55.356448
where:
bonds (distance) C4'-P energy: -8.694
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -4.879
tors. eta vs tors. theta energy: -10.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -153.565199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.565199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.565199 (E_RNA)
where:
Base-Base interactions energy: -95.982
where: short stacking energy: -51.053
Base-Backbone interact. energy: -0.996
local terms energy: -56.586602
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -11.851
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -5.435
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: 3
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -82.258322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.258322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.258322 (E_RNA)
where:
Base-Base interactions energy: -25.889
where: short stacking energy: -20.768
Base-Backbone interact. energy: -0.080
local terms energy: -56.289808
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -5.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -84.198240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.198240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.198240 (E_RNA)
where:
Base-Base interactions energy: -39.871
where: short stacking energy: -27.961
Base-Backbone interact. energy: -0.205
local terms energy: -44.122212
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -10.226
flat angles P-C4'-P energy: -6.347
tors. eta vs tors. theta energy: 0.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -74.446348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.446348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.446348 (E_RNA)
where:
Base-Base interactions energy: -25.091
where: short stacking energy: -22.146
Base-Backbone interact. energy: 0.218
local terms energy: -49.574051
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: 0.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -214.554434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.554434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.554434 (E_RNA)
where:
Base-Base interactions energy: -137.292
where: short stacking energy: -62.299
Base-Backbone interact. energy: -1.807
local terms energy: -75.455945
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -18.511
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -19.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -221.590823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.590823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.590823 (E_RNA)
where:
Base-Base interactions energy: -141.701
where: short stacking energy: -72.053
Base-Backbone interact. energy: -1.376
local terms energy: -78.513488
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -22.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -222.083024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.083024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.083024 (E_RNA)
where:
Base-Base interactions energy: -140.356
where: short stacking energy: -70.389
Base-Backbone interact. energy: -0.044
local terms energy: -81.683572
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -17.222
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -19.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -214.636782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.636782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.636782 (E_RNA)
where:
Base-Base interactions energy: -143.135
where: short stacking energy: -68.578
Base-Backbone interact. energy: -0.200
local terms energy: -71.302625
where:
bonds (distance) C4'-P energy: -8.302
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -21.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -180.070708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.070708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.070708 (E_RNA)
where:
Base-Base interactions energy: -115.582
where: short stacking energy: -58.322
Base-Backbone interact. energy: -0.028
local terms energy: -64.460483
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -4.736
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: 6, replica: 10
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -175.244616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.244616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.244616 (E_RNA)
where:
Base-Base interactions energy: -112.743
where: short stacking energy: -55.822
Base-Backbone interact. energy: -0.827
local terms energy: -61.674721
where:
bonds (distance) C4'-P energy: -8.658
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -13.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -160.019068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.019068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.019068 (E_RNA)
where:
Base-Base interactions energy: -96.030
where: short stacking energy: -53.981
Base-Backbone interact. energy: 0.323
local terms energy: -64.312485
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -16.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -80.839865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.839865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.839865 (E_RNA)
where:
Base-Base interactions energy: -41.384
where: short stacking energy: -26.423
Base-Backbone interact. energy: -0.628
local terms energy: -38.827713
where:
bonds (distance) C4'-P energy: -9.117
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -2.351
tors. eta vs tors. theta energy: 1.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -87.261709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.261709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.261709 (E_RNA)
where:
Base-Base interactions energy: -36.340
where: short stacking energy: -25.912
Base-Backbone interact. energy: -0.167
local terms energy: -50.755490
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -6.706
tors. eta vs tors. theta energy: -2.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -86.028168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.028168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.028168 (E_RNA)
where:
Base-Base interactions energy: -29.957
where: short stacking energy: -29.957
Base-Backbone interact. energy: -0.716
local terms energy: -55.355340
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: -6.508
tors. eta vs tors. theta energy: -3.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -225.509534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.509534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.509534 (E_RNA)
where:
Base-Base interactions energy: -148.099
where: short stacking energy: -70.374
Base-Backbone interact. energy: -1.495
local terms energy: -75.915655
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -22.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -213.567877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.567877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.567877 (E_RNA)
where:
Base-Base interactions energy: -139.764
where: short stacking energy: -65.095
Base-Backbone interact. energy: -0.303
local terms energy: -73.500637
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -10.478
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: 3, replica: 2
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -225.028016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.028016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.028016 (E_RNA)
where:
Base-Base interactions energy: -143.703
where: short stacking energy: -65.476
Base-Backbone interact. energy: -0.839
local terms energy: -80.486494
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -12.663
tors. eta vs tors. theta energy: -22.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -210.321923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.321923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.321923 (E_RNA)
where:
Base-Base interactions energy: -138.630
where: short stacking energy: -70.937
Base-Backbone interact. energy: -0.414
local terms energy: -71.278234
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -16.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -179.021896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.021896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.021896 (E_RNA)
where:
Base-Base interactions energy: -114.649
where: short stacking energy: -58.863
Base-Backbone interact. energy: -0.548
local terms energy: -63.825159
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -13.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -150.461943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.461943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.461943 (E_RNA)
where:
Base-Base interactions energy: -93.511
where: short stacking energy: -47.986
Base-Backbone interact. energy: -0.234
local terms energy: -56.717558
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -12.274
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -7.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -149.980249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.980249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.980249 (E_RNA)
where:
Base-Base interactions energy: -93.533
where: short stacking energy: -50.376
Base-Backbone interact. energy: -0.042
local terms energy: -56.405362
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -5.312
tors. eta vs tors. theta energy: -8.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -82.983263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.983263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.983263 (E_RNA)
where:
Base-Base interactions energy: -30.049
where: short stacking energy: -26.641
Base-Backbone interact. energy: 0.676
local terms energy: -53.610175
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -9.550
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -2.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -80.267745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.267745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.267745 (E_RNA)
where:
Base-Base interactions energy: -26.140
where: short stacking energy: -26.140
Base-Backbone interact. energy: -0.054
local terms energy: -54.073805
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -1.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -87.507728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.507728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.507728 (E_RNA)
where:
Base-Base interactions energy: -33.556
where: short stacking energy: -33.556
Base-Backbone interact. energy: 0.085
local terms energy: -54.036746
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -5.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -219.017927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.017927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.017927 (E_RNA)
where:
Base-Base interactions energy: -144.717
where: short stacking energy: -67.768
Base-Backbone interact. energy: -1.274
local terms energy: -73.026492
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -10.143
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: 299
Temperature: 0.950000
Total energy: -215.975080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.975080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.975080 (E_RNA)
where:
Base-Base interactions energy: -140.801
where: short stacking energy: -70.577
Base-Backbone interact. energy: -1.465
local terms energy: -73.708897
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -20.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -208.791197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.791197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.791197 (E_RNA)
where:
Base-Base interactions energy: -137.333
where: short stacking energy: -62.722
Base-Backbone interact. energy: -0.400
local terms energy: -71.058281
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -17.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -165.210530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.210530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.210530 (E_RNA)
where:
Base-Base interactions energy: -96.441
where: short stacking energy: -45.405
Base-Backbone interact. energy: 0.401
local terms energy: -69.169855
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: -14.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -205.269482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.269482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.269482 (E_RNA)
where:
Base-Base interactions energy: -135.920
where: short stacking energy: -68.535
Base-Backbone interact. energy: -0.014
local terms energy: -69.335326
where:
bonds (distance) C4'-P energy: -10.324
bonds (distance) P-C4' energy: -12.151
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -22.560
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: 1
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -174.757253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.757253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.757253 (E_RNA)
where:
Base-Base interactions energy: -120.612
where: short stacking energy: -59.089
Base-Backbone interact. energy: -0.101
local terms energy: -54.043502
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -10.329
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -1.909
tors. eta vs tors. theta energy: -14.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -138.666062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.666062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.666062 (E_RNA)
where:
Base-Base interactions energy: -85.217
where: short stacking energy: -38.670
Base-Backbone interact. energy: -0.030
local terms energy: -53.418241
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -1.255
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: 4
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -77.912760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.912760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.912760 (E_RNA)
where:
Base-Base interactions energy: -29.537
where: short stacking energy: -25.350
Base-Backbone interact. energy: -0.207
local terms energy: -48.168575
where:
bonds (distance) C4'-P energy: -9.366
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -5.372
tors. eta vs tors. theta energy: -3.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -77.476791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.476791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.476791 (E_RNA)
where:
Base-Base interactions energy: -28.460
where: short stacking energy: -27.641
Base-Backbone interact. energy: -0.367
local terms energy: -48.649867
where:
bonds (distance) C4'-P energy: -8.837
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -11.676
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -6.135
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: 3
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -71.380908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.380908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.380908 (E_RNA)
where:
Base-Base interactions energy: -25.325
where: short stacking energy: -16.459
Base-Backbone interact. energy: -0.338
local terms energy: -45.718080
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -6.883
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -2.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -218.990377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.990377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.990377 (E_RNA)
where:
Base-Base interactions energy: -148.618
where: short stacking energy: -61.973
Base-Backbone interact. energy: -0.305
local terms energy: -70.067985
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -10.556
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -21.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -222.867334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.867334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.867334 (E_RNA)
where:
Base-Base interactions energy: -147.893
where: short stacking energy: -72.833
Base-Backbone interact. energy: -0.466
local terms energy: -74.508776
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -23.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -190.292213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.292213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.292213 (E_RNA)
where:
Base-Base interactions energy: -121.839
where: short stacking energy: -51.799
Base-Backbone interact. energy: -0.271
local terms energy: -68.181887
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -14.484
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -12.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -211.899069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.899069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.899069 (E_RNA)
where:
Base-Base interactions energy: -142.617
where: short stacking energy: -49.667
Base-Backbone interact. energy: -0.704
local terms energy: -68.578258
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -10.631
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: 5, replica: 8
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -190.403598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.403598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.403598 (E_RNA)
where:
Base-Base interactions energy: -118.385
where: short stacking energy: -51.240
Base-Backbone interact. energy: -0.001
local terms energy: -72.018357
where:
bonds (distance) C4'-P energy: -11.935
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -17.952
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: 1
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -172.443198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.443198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.443198 (E_RNA)
where:
Base-Base interactions energy: -114.622
where: short stacking energy: -51.619
Base-Backbone interact. energy: -1.500
local terms energy: -56.321139
where:
bonds (distance) C4'-P energy: -7.798
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -9.258
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: 10
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -155.475290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.475290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.475290 (E_RNA)
where:
Base-Base interactions energy: -106.053
where: short stacking energy: -50.390
Base-Backbone interact. energy: -0.138
local terms energy: -49.284573
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -8.691
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -9.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -92.756311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.756311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.756311 (E_RNA)
where:
Base-Base interactions energy: -35.098
where: short stacking energy: -35.098
Base-Backbone interact. energy: -0.149
local terms energy: -57.509741
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -10.405
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: 9, replica: 3
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -96.847208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.847208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.847208 (E_RNA)
where:
Base-Base interactions energy: -41.028
where: short stacking energy: -35.412
Base-Backbone interact. energy: 0.974
local terms energy: -56.793361
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -15.810
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -9.884
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: 10, replica: 7
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -87.705585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.705585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.705585 (E_RNA)
where:
Base-Base interactions energy: -34.898
where: short stacking energy: -33.462
Base-Backbone interact. energy: -0.062
local terms energy: -52.745027
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -12.044
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: -5.698
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: 6
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -217.480664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.480664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.480664 (E_RNA)
where:
Base-Base interactions energy: -145.425
where: short stacking energy: -65.441
Base-Backbone interact. energy: 0.083
local terms energy: -72.139251
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -16.888
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -19.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -217.646698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.646698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.646698 (E_RNA)
where:
Base-Base interactions energy: -140.346
where: short stacking energy: -70.998
Base-Backbone interact. energy: -1.544
local terms energy: -75.756160
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -22.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -196.609808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.609808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.609808 (E_RNA)
where:
Base-Base interactions energy: -128.769
where: short stacking energy: -56.171
Base-Backbone interact. energy: -0.554
local terms energy: -67.286378
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -8.185
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: 4, replica: 8
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -212.260972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.260972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.260972 (E_RNA)
where:
Base-Base interactions energy: -140.988
where: short stacking energy: -65.231
Base-Backbone interact. energy: -1.227
local terms energy: -70.045782
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -11.142
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: 5, replica: 5
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -201.187363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.187363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.187363 (E_RNA)
where:
Base-Base interactions energy: -134.110
where: short stacking energy: -53.251
Base-Backbone interact. energy: -0.218
local terms energy: -66.859477
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -12.270
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -14.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -159.264020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.264020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.264020 (E_RNA)
where:
Base-Base interactions energy: -98.025
where: short stacking energy: -46.617
Base-Backbone interact. energy: -0.463
local terms energy: -60.775608
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -10.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -138.028286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.028286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.028286 (E_RNA)
where:
Base-Base interactions energy: -74.906
where: short stacking energy: -35.638
Base-Backbone interact. energy: -0.057
local terms energy: -63.064634
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -9.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -118.779131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.779131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.779131 (E_RNA)
where:
Base-Base interactions energy: -71.081
where: short stacking energy: -25.694
Base-Backbone interact. energy: 1.220
local terms energy: -48.917838
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -7.454
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -3.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -81.828643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.828643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.828643 (E_RNA)
where:
Base-Base interactions energy: -23.829
where: short stacking energy: -23.573
Base-Backbone interact. energy: -0.280
local terms energy: -57.718945
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -5.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -68.669672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.669672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.669672 (E_RNA)
where:
Base-Base interactions energy: -24.447
where: short stacking energy: -15.290
Base-Backbone interact. energy: -0.224
local terms energy: -43.998498
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -4.322
tors. eta vs tors. theta energy: 1.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -230.387025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.387025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.387025 (E_RNA)
where:
Base-Base interactions energy: -151.005
where: short stacking energy: -66.394
Base-Backbone interact. energy: -1.334
local terms energy: -78.048173
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -11.863
flat angles P-C4'-P energy: -13.103
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: 2, replica: 6
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -222.744942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.744942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.744942 (E_RNA)
where:
Base-Base interactions energy: -144.376
where: short stacking energy: -67.293
Base-Backbone interact. energy: -0.664
local terms energy: -77.704967
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -20.288
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: 302
Temperature: 1.000000
Total energy: -204.932702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.932702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.932702 (E_RNA)
where:
Base-Base interactions energy: -141.805
where: short stacking energy: -58.169
Base-Backbone interact. energy: 0.410
local terms energy: -63.537337
where:
bonds (distance) C4'-P energy: -9.672
bonds (distance) P-C4' energy: -13.031
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -15.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -190.588975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.588975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.588975 (E_RNA)
where:
Base-Base interactions energy: -125.485
where: short stacking energy: -52.650
Base-Backbone interact. energy: -0.189
local terms energy: -64.915025
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -13.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -203.304255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.304255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.304255 (E_RNA)
where:
Base-Base interactions energy: -126.103
where: short stacking energy: -51.110
Base-Backbone interact. energy: -0.073
local terms energy: -77.127596
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -18.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -145.681580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.681580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.681580 (E_RNA)
where:
Base-Base interactions energy: -84.956
where: short stacking energy: -41.699
Base-Backbone interact. energy: -0.193
local terms energy: -60.533023
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -12.466
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -6.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -148.160468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.160468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.160468 (E_RNA)
where:
Base-Base interactions energy: -95.280
where: short stacking energy: -50.233
Base-Backbone interact. energy: 0.173
local terms energy: -53.053530
where:
bonds (distance) C4'-P energy: -8.066
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -3.888
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: 8, replica: 3
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -95.509236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.509236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.509236 (E_RNA)
where:
Base-Base interactions energy: -48.141
where: short stacking energy: -22.738
Base-Backbone interact. energy: -0.545
local terms energy: -46.823367
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -6.722
tors. eta vs tors. theta energy: 2.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -77.939171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.939171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.939171 (E_RNA)
where:
Base-Base interactions energy: -31.557
where: short stacking energy: -26.085
Base-Backbone interact. energy: -0.192
local terms energy: -46.190152
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -2.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -77.954149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.954149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.954149 (E_RNA)
where:
Base-Base interactions energy: -32.141
where: short stacking energy: -22.124
Base-Backbone interact. energy: 2.308
local terms energy: -48.121636
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -17.585
flat angles C4'-P-C4' energy: -10.209
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: 1.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -214.080901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.080901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.080901 (E_RNA)
where:
Base-Base interactions energy: -148.137
where: short stacking energy: -52.292
Base-Backbone interact. energy: -0.134
local terms energy: -65.809473
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -12.286
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -15.711
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: 8
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -219.249020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.249020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.249020 (E_RNA)
where:
Base-Base interactions energy: -142.029
where: short stacking energy: -67.769
Base-Backbone interact. energy: -0.103
local terms energy: -77.117489
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -17.630
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -19.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -213.644527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.644527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.644527 (E_RNA)
where:
Base-Base interactions energy: -135.697
where: short stacking energy: -68.414
Base-Backbone interact. energy: -0.714
local terms energy: -77.233992
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -19.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -217.051553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.051553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.051553 (E_RNA)
where:
Base-Base interactions energy: -135.998
where: short stacking energy: -68.514
Base-Backbone interact. energy: -0.063
local terms energy: -80.991126
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -20.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -165.836051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.836051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.836051 (E_RNA)
where:
Base-Base interactions energy: -107.139
where: short stacking energy: -43.518
Base-Backbone interact. energy: -0.123
local terms energy: -58.573557
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -5.382
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: 6, replica: 10
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -141.717000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.717000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.717000 (E_RNA)
where:
Base-Base interactions energy: -86.519
where: short stacking energy: -40.829
Base-Backbone interact. energy: -0.527
local terms energy: -54.670909
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -5.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -133.593446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.593446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.593446 (E_RNA)
where:
Base-Base interactions energy: -89.344
where: short stacking energy: -38.855
Base-Backbone interact. energy: -0.536
local terms energy: -43.713961
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -8.226
flat angles C4'-P-C4' energy: -7.322
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -2.082
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: 3
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -88.964917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.964917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.964917 (E_RNA)
where:
Base-Base interactions energy: -37.692
where: short stacking energy: -32.272
Base-Backbone interact. energy: -0.104
local terms energy: -51.169468
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -2.146
tors. eta vs tors. theta energy: -6.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -87.301351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.301351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.301351 (E_RNA)
where:
Base-Base interactions energy: -35.679
where: short stacking energy: -35.679
Base-Backbone interact. energy: -0.061
local terms energy: -51.561334
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -11.899
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -3.127
tors. eta vs tors. theta energy: -7.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -100.552103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.552103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.552103 (E_RNA)
where:
Base-Base interactions energy: -53.852
where: short stacking energy: -28.135
Base-Backbone interact. energy: -0.254
local terms energy: -46.446090
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -8.150
flat angles C4'-P-C4' energy: -11.098
flat angles P-C4'-P energy: -6.492
tors. eta vs tors. theta energy: -7.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -218.870680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.870680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.870680 (E_RNA)
where:
Base-Base interactions energy: -139.452
where: short stacking energy: -67.254
Base-Backbone interact. energy: -1.993
local terms energy: -77.425593
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -19.128
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -19.902
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: 2
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -215.443426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.443426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.443426 (E_RNA)
where:
Base-Base interactions energy: -137.120
where: short stacking energy: -56.904
Base-Backbone interact. energy: -0.026
local terms energy: -78.297217
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -21.516
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: 5
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -222.010389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.010389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.010389 (E_RNA)
where:
Base-Base interactions energy: -144.585
where: short stacking energy: -69.191
Base-Backbone interact. energy: 0.891
local terms energy: -78.316350
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -21.139
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: 6
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -211.361203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.361203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.361203 (E_RNA)
where:
Base-Base interactions energy: -140.367
where: short stacking energy: -63.357
Base-Backbone interact. energy: -0.152
local terms energy: -70.842368
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -15.088
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: 9
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -158.326310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.326310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.326310 (E_RNA)
where:
Base-Base interactions energy: -98.213
where: short stacking energy: -49.687
Base-Backbone interact. energy: -0.122
local terms energy: -59.991115
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -6.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -113.236399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.236399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.236399 (E_RNA)
where:
Base-Base interactions energy: -49.986
where: short stacking energy: -40.886
Base-Backbone interact. energy: -0.348
local terms energy: -62.902350
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -6.987
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: 1
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -143.555559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.555559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.555559 (E_RNA)
where:
Base-Base interactions energy: -90.383
where: short stacking energy: -38.497
Base-Backbone interact. energy: -1.570
local terms energy: -51.603292
where:
bonds (distance) C4'-P energy: -11.065
bonds (distance) P-C4' energy: -12.907
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -4.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -89.379566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.379566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.379566 (E_RNA)
where:
Base-Base interactions energy: -41.838
where: short stacking energy: -41.695
Base-Backbone interact. energy: -0.160
local terms energy: -47.382219
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -4.798
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -8.781
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: 4
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -86.707336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.707336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.707336 (E_RNA)
where:
Base-Base interactions energy: -48.204
where: short stacking energy: -28.136
Base-Backbone interact. energy: 1.243
local terms energy: -39.746503
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -3.883
tors. eta vs tors. theta energy: 1.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -74.984685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.984685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.984685 (E_RNA)
where:
Base-Base interactions energy: -22.519
where: short stacking energy: -22.233
Base-Backbone interact. energy: -1.472
local terms energy: -50.993823
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -12.161
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -6.811
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: 8
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -222.557465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.557465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.557465 (E_RNA)
where:
Base-Base interactions energy: -143.706
where: short stacking energy: -69.485
Base-Backbone interact. energy: -0.025
local terms energy: -78.826998
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -17.667
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -22.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -212.954938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.954938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.954938 (E_RNA)
where:
Base-Base interactions energy: -145.438
where: short stacking energy: -66.496
Base-Backbone interact. energy: -0.998
local terms energy: -66.518934
where:
bonds (distance) C4'-P energy: -10.929
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: -17.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -217.821727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.821727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.821727 (E_RNA)
where:
Base-Base interactions energy: -146.854
where: short stacking energy: -59.982
Base-Backbone interact. energy: -0.585
local terms energy: -70.382579
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -13.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -199.578921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.578921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.578921 (E_RNA)
where:
Base-Base interactions energy: -136.917
where: short stacking energy: -57.596
Base-Backbone interact. energy: -0.068
local terms energy: -62.593844
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -10.910
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -14.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -141.188746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.188746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.188746 (E_RNA)
where:
Base-Base interactions energy: -83.511
where: short stacking energy: -48.569
Base-Backbone interact. energy: -0.264
local terms energy: -57.413731
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -12.168
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -6.431
tors. eta vs tors. theta energy: -14.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -145.192963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.192963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.192963 (E_RNA)
where:
Base-Base interactions energy: -82.937
where: short stacking energy: -44.615
Base-Backbone interact. energy: -0.230
local terms energy: -62.025256
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -11.758
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: 7, replica: 10
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -98.487444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.487444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.487444 (E_RNA)
where:
Base-Base interactions energy: -47.536
where: short stacking energy: -39.362
Base-Backbone interact. energy: -0.106
local terms energy: -50.845088
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -0.991
tors. eta vs tors. theta energy: -3.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -95.287052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.287052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.287052 (E_RNA)
where:
Base-Base interactions energy: -39.521
where: short stacking energy: -29.572
Base-Backbone interact. energy: -0.056
local terms energy: -55.709991
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -5.573
tors. eta vs tors. theta energy: -6.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -80.655182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.655182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.655182 (E_RNA)
where:
Base-Base interactions energy: -34.632
where: short stacking energy: -29.646
Base-Backbone interact. energy: 0.604
local terms energy: -46.627822
where:
bonds (distance) C4'-P energy: -10.199
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -1.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -74.245696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.245696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.245696 (E_RNA)
where:
Base-Base interactions energy: -22.852
where: short stacking energy: -22.852
Base-Backbone interact. energy: -0.112
local terms energy: -51.281531
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -10.391
flat angles P-C4'-P energy: -6.103
tors. eta vs tors. theta energy: -2.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -224.609946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.609946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.609946 (E_RNA)
where:
Base-Base interactions energy: -149.151
where: short stacking energy: -55.410
Base-Backbone interact. energy: -1.146
local terms energy: -74.312442
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -16.621
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -18.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -220.797897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.797897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.797897 (E_RNA)
where:
Base-Base interactions energy: -144.898
where: short stacking energy: -69.802
Base-Backbone interact. energy: -1.084
local terms energy: -74.815616
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -9.848
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: 6
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -208.277887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.277887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.277887 (E_RNA)
where:
Base-Base interactions energy: -141.201
where: short stacking energy: -68.143
Base-Backbone interact. energy: -0.000
local terms energy: -67.076022
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: -17.304
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: 2
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -210.390690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.390690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.390690 (E_RNA)
where:
Base-Base interactions energy: -139.168
where: short stacking energy: -70.894
Base-Backbone interact. energy: -0.089
local terms energy: -71.133855
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -18.347
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: 1
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -158.955813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.955813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.955813 (E_RNA)
where:
Base-Base interactions energy: -101.988
where: short stacking energy: -57.464
Base-Backbone interact. energy: -0.375
local terms energy: -56.592948
where:
bonds (distance) C4'-P energy: -5.739
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -9.273
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: 6, replica: 9
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -158.162232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.162232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.162232 (E_RNA)
where:
Base-Base interactions energy: -97.787
where: short stacking energy: -49.543
Base-Backbone interact. energy: -0.575
local terms energy: -59.799952
where:
bonds (distance) C4'-P energy: -10.036
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -9.248
flat angles P-C4'-P energy: -9.795
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: 3
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -99.199506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.199506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.199506 (E_RNA)
where:
Base-Base interactions energy: -40.799
where: short stacking energy: -40.799
Base-Backbone interact. energy: -0.049
local terms energy: -58.351560
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -9.859
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -8.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -81.944970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.944970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.944970 (E_RNA)
where:
Base-Base interactions energy: -25.614
where: short stacking energy: -25.614
Base-Backbone interact. energy: 0.887
local terms energy: -57.217591
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -10.162
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -3.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -90.145881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.145881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.145881 (E_RNA)
where:
Base-Base interactions energy: -29.063
where: short stacking energy: -13.375
Base-Backbone interact. energy: -0.064
local terms energy: -61.018815
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -2.891
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: 4
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -84.462981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.462981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.462981 (E_RNA)
where:
Base-Base interactions energy: -31.444
where: short stacking energy: -31.444
Base-Backbone interact. energy: -0.210
local terms energy: -52.809714
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: 1.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -215.544508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.544508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.544508 (E_RNA)
where:
Base-Base interactions energy: -143.098
where: short stacking energy: -55.262
Base-Backbone interact. energy: -0.004
local terms energy: -72.442825
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -19.961
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: 5
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -215.948328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.948328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.948328 (E_RNA)
where:
Base-Base interactions energy: -138.479
where: short stacking energy: -67.337
Base-Backbone interact. energy: -0.050
local terms energy: -77.418761
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -17.255
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -19.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -211.020945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.020945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.020945 (E_RNA)
where:
Base-Base interactions energy: -148.931
where: short stacking energy: -49.802
Base-Backbone interact. energy: -0.228
local terms energy: -61.861977
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -13.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -210.654465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.654465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.654465 (E_RNA)
where:
Base-Base interactions energy: -138.173
where: short stacking energy: -59.116
Base-Backbone interact. energy: -1.131
local terms energy: -71.350560
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -16.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -180.439990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.439990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.439990 (E_RNA)
where:
Base-Base interactions energy: -121.774
where: short stacking energy: -49.909
Base-Backbone interact. energy: -0.202
local terms energy: -58.463910
where:
bonds (distance) C4'-P energy: -7.901
bonds (distance) P-C4' energy: -11.161
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -13.171
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: 6, replica: 9
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -165.105085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.105085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.105085 (E_RNA)
where:
Base-Base interactions energy: -101.220
where: short stacking energy: -49.392
Base-Backbone interact. energy: -0.002
local terms energy: -63.882580
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -6.019
tors. eta vs tors. theta energy: -14.049
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: 3
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -90.024237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.024237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.024237 (E_RNA)
where:
Base-Base interactions energy: -37.750
where: short stacking energy: -22.720
Base-Backbone interact. energy: -0.174
local terms energy: -52.100154
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -5.735
tors. eta vs tors. theta energy: -3.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -86.267002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.267002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.267002 (E_RNA)
where:
Base-Base interactions energy: -36.350
where: short stacking energy: -34.342
Base-Backbone interact. energy: -0.197
local terms energy: -49.720521
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -9.237
flat angles P-C4'-P energy: -3.933
tors. eta vs tors. theta energy: -7.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -87.384712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.384712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.384712 (E_RNA)
where:
Base-Base interactions energy: -33.766
where: short stacking energy: -33.766
Base-Backbone interact. energy: 0.727
local terms energy: -54.345188
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -18.258
flat angles C4'-P-C4' energy: -11.593
flat angles P-C4'-P energy: -6.899
tors. eta vs tors. theta energy: -6.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -76.773361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.773361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.773361 (E_RNA)
where:
Base-Base interactions energy: -23.454
where: short stacking energy: -23.215
Base-Backbone interact. energy: 0.392
local terms energy: -53.711723
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: 0.422
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: 1, replica: 5
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -224.901887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.901887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.901887 (E_RNA)
where:
Base-Base interactions energy: -140.516
where: short stacking energy: -69.634
Base-Backbone interact. energy: -0.734
local terms energy: -83.652656
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -20.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -224.361824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.361824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.361824 (E_RNA)
where:
Base-Base interactions energy: -150.242
where: short stacking energy: -58.161
Base-Backbone interact. energy: -0.302
local terms energy: -73.818305
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -21.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -220.192034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.192034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.192034 (E_RNA)
where:
Base-Base interactions energy: -157.727
where: short stacking energy: -64.469
Base-Backbone interact. energy: -0.029
local terms energy: -62.435709
where:
bonds (distance) C4'-P energy: -13.881
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -12.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -210.834771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.834771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.834771 (E_RNA)
where:
Base-Base interactions energy: -137.869
where: short stacking energy: -57.103
Base-Backbone interact. energy: -0.161
local terms energy: -72.804708
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -16.725
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: 1
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -176.338409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.338409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.338409 (E_RNA)
where:
Base-Base interactions energy: -112.624
where: short stacking energy: -56.756
Base-Backbone interact. energy: -0.341
local terms energy: -63.373513
where:
bonds (distance) C4'-P energy: -9.337
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -14.383
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: 9
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -160.723656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.723656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.723656 (E_RNA)
where:
Base-Base interactions energy: -101.670
where: short stacking energy: -59.421
Base-Backbone interact. energy: -0.645
local terms energy: -58.408807
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -10.383
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -13.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -94.302310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.302310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.302310 (E_RNA)
where:
Base-Base interactions energy: -46.677
where: short stacking energy: -35.873
Base-Backbone interact. energy: -0.265
local terms energy: -47.360965
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -11.064
flat angles C4'-P-C4' energy: -8.449
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -3.059
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: 8, replica: 3
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -91.553932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.553932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.553932 (E_RNA)
where:
Base-Base interactions energy: -38.349
where: short stacking energy: -34.639
Base-Backbone interact. energy: -0.211
local terms energy: -52.993162
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -1.230
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: 4
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -81.111553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.111553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.111553 (E_RNA)
where:
Base-Base interactions energy: -31.972
where: short stacking energy: -24.331
Base-Backbone interact. energy: -0.333
local terms energy: -48.806267
where:
bonds (distance) C4'-P energy: -9.007
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -5.881
tors. eta vs tors. theta energy: -3.575
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: 308
Temperature: 1.350000
Total energy: -71.493290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.493290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.493290 (E_RNA)
where:
Base-Base interactions energy: -23.016
where: short stacking energy: -19.463
Base-Backbone interact. energy: -0.040
local terms energy: -48.437451
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -8.210
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: 1, replica: 5
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -222.655061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.655061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.655061 (E_RNA)
where:
Base-Base interactions energy: -146.417
where: short stacking energy: -67.564
Base-Backbone interact. energy: -0.023
local terms energy: -76.215167
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -17.911
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: 8
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -222.276917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.276917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.276917 (E_RNA)
where:
Base-Base interactions energy: -147.059
where: short stacking energy: -58.995
Base-Backbone interact. energy: -0.539
local terms energy: -74.679635
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -18.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -209.627347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.627347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.627347 (E_RNA)
where:
Base-Base interactions energy: -147.560
where: short stacking energy: -52.994
Base-Backbone interact. energy: -0.459
local terms energy: -61.608603
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -8.165
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: 4, replica: 1
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -187.742411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.742411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.742411 (E_RNA)
where:
Base-Base interactions energy: -115.824
where: short stacking energy: -50.966
Base-Backbone interact. energy: -0.781
local terms energy: -71.137487
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -11.706
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: 5, replica: 2
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -213.598645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.598645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.598645 (E_RNA)
where:
Base-Base interactions energy: -133.268
where: short stacking energy: -64.662
Base-Backbone interact. energy: -0.310
local terms energy: -80.021634
where:
bonds (distance) C4'-P energy: -18.250
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -10.863
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: 6, replica: 9
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -177.535765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.535765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.535765 (E_RNA)
where:
Base-Base interactions energy: -114.529
where: short stacking energy: -57.828
Base-Backbone interact. energy: -0.652
local terms energy: -62.354734
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -10.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -92.179679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.179679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.179679 (E_RNA)
where:
Base-Base interactions energy: -41.785
where: short stacking energy: -26.693
Base-Backbone interact. energy: -0.160
local terms energy: -50.234646
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -8.407
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -3.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -85.187319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.187319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.187319 (E_RNA)
where:
Base-Base interactions energy: -43.258
where: short stacking energy: -30.258
Base-Backbone interact. energy: 1.669
local terms energy: -43.597803
where:
bonds (distance) C4'-P energy: -10.117
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -9.884
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -1.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -80.627372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.627372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.627372 (E_RNA)
where:
Base-Base interactions energy: -30.098
where: short stacking energy: -18.468
Base-Backbone interact. energy: -0.503
local terms energy: -50.026064
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -14.708
flat angles C4'-P-C4' energy: -11.468
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: 2.152
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: 10
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -79.168430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.168430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.168430 (E_RNA)
where:
Base-Base interactions energy: -30.342
where: short stacking energy: -30.217
Base-Backbone interact. energy: -0.102
local terms energy: -48.724952
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -10.550
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -4.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -220.997745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.997745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.997745 (E_RNA)
where:
Base-Base interactions energy: -148.290
where: short stacking energy: -65.622
Base-Backbone interact. energy: -0.535
local terms energy: -72.172011
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -10.737
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: 2, replica: 8
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -220.100803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.100803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.100803 (E_RNA)
where:
Base-Base interactions energy: -139.711
where: short stacking energy: -67.014
Base-Backbone interact. energy: -0.092
local terms energy: -80.297710
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -13.957
tors. eta vs tors. theta energy: -19.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -210.926819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.926819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.926819 (E_RNA)
where:
Base-Base interactions energy: -153.981
where: short stacking energy: -64.878
Base-Backbone interact. energy: -0.035
local terms energy: -56.910830
where:
bonds (distance) C4'-P energy: -7.411
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -10.383
flat angles P-C4'-P energy: -8.962
tors. eta vs tors. theta energy: -15.527
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: 1
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -183.648171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.648171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.648171 (E_RNA)
where:
Base-Base interactions energy: -111.741
where: short stacking energy: -64.715
Base-Backbone interact. energy: -0.190
local terms energy: -71.716938
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -19.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -192.334638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.334638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.334638 (E_RNA)
where:
Base-Base interactions energy: -141.175
where: short stacking energy: -60.581
Base-Backbone interact. energy: -0.008
local terms energy: -51.151492
where:
bonds (distance) C4'-P energy: -6.287
bonds (distance) P-C4' energy: -2.169
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -17.326
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: 9
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -150.010284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.010284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.010284 (E_RNA)
where:
Base-Base interactions energy: -88.646
where: short stacking energy: -41.277
Base-Backbone interact. energy: -0.104
local terms energy: -61.260082
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -10.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -97.196082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.196082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.196082 (E_RNA)
where:
Base-Base interactions energy: -39.465
where: short stacking energy: -37.289
Base-Backbone interact. energy: -0.173
local terms energy: -57.557518
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -10.698
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -7.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -98.524749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.524749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.524749 (E_RNA)
where:
Base-Base interactions energy: -45.785
where: short stacking energy: -28.035
Base-Backbone interact. energy: -0.236
local terms energy: -52.503649
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -10.603
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: 9, replica: 10
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -81.894849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.894849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.894849 (E_RNA)
where:
Base-Base interactions energy: -34.950
where: short stacking energy: -27.576
Base-Backbone interact. energy: -0.196
local terms energy: -46.748856
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -2.610
tors. eta vs tors. theta energy: -3.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -71.253960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.253960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.253960 (E_RNA)
where:
Base-Base interactions energy: -27.481
where: short stacking energy: -19.593
Base-Backbone interact. energy: -0.027
local terms energy: -43.745620
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -11.147
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: 2.834
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: 5
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -215.497098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.497098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.497098 (E_RNA)
where:
Base-Base interactions energy: -142.227
where: short stacking energy: -60.133
Base-Backbone interact. energy: -0.004
local terms energy: -73.266854
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -20.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -225.495009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.495009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.495009 (E_RNA)
where:
Base-Base interactions energy: -151.717
where: short stacking energy: -66.627
Base-Backbone interact. energy: -0.746
local terms energy: -73.031809
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -18.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -213.569941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.569941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.569941 (E_RNA)
where:
Base-Base interactions energy: -141.836
where: short stacking energy: -63.992
Base-Backbone interact. energy: -0.026
local terms energy: -71.708327
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -17.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -201.530703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.530703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.530703 (E_RNA)
where:
Base-Base interactions energy: -130.416
where: short stacking energy: -61.131
Base-Backbone interact. energy: -0.392
local terms energy: -70.722610
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -18.389
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -16.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -165.798654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.798654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.798654 (E_RNA)
where:
Base-Base interactions energy: -104.688
where: short stacking energy: -50.912
Base-Backbone interact. energy: -0.309
local terms energy: -60.801658
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -9.485
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -12.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -182.438759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.438759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.438759 (E_RNA)
where:
Base-Base interactions energy: -108.209
where: short stacking energy: -57.125
Base-Backbone interact. energy: -0.001
local terms energy: -74.229424
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -18.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -108.576403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.576403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.576403 (E_RNA)
where:
Base-Base interactions energy: -49.919
where: short stacking energy: -31.627
Base-Backbone interact. energy: 0.609
local terms energy: -59.266271
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -7.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -82.853231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.853231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.853231 (E_RNA)
where:
Base-Base interactions energy: -37.729
where: short stacking energy: -29.474
Base-Backbone interact. energy: -0.190
local terms energy: -44.933909
where:
bonds (distance) C4'-P energy: -5.718
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -11.854
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: 9, replica: 7
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -82.673070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.673070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.673070 (E_RNA)
where:
Base-Base interactions energy: -44.897
where: short stacking energy: -31.308
Base-Backbone interact. energy: -0.378
local terms energy: -37.398374
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -7.613
flat angles C4'-P-C4' energy: -7.438
flat angles P-C4'-P energy: -5.692
tors. eta vs tors. theta energy: -2.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -69.889115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.889115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.889115 (E_RNA)
where:
Base-Base interactions energy: -22.241
where: short stacking energy: -21.955
Base-Backbone interact. energy: -1.556
local terms energy: -46.092533
where:
bonds (distance) C4'-P energy: -9.023
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -11.038
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -1.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -225.111553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.111553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.111553 (E_RNA)
where:
Base-Base interactions energy: -145.551
where: short stacking energy: -63.687
Base-Backbone interact. energy: -0.377
local terms energy: -79.184127
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -21.401
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: 5
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -214.791183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.791183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.791183 (E_RNA)
where:
Base-Base interactions energy: -142.929
where: short stacking energy: -70.492
Base-Backbone interact. energy: -0.354
local terms energy: -71.507467
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -19.683
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: 2
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -199.517747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.517747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.517747 (E_RNA)
where:
Base-Base interactions energy: -128.593
where: short stacking energy: -55.331
Base-Backbone interact. energy: -0.035
local terms energy: -70.889753
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -14.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -204.635507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.635507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.635507 (E_RNA)
where:
Base-Base interactions energy: -140.706
where: short stacking energy: -66.074
Base-Backbone interact. energy: -0.102
local terms energy: -63.827732
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -16.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -157.573945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.573945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.573945 (E_RNA)
where:
Base-Base interactions energy: -99.075
where: short stacking energy: -43.438
Base-Backbone interact. energy: -0.077
local terms energy: -58.422008
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -15.021
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -4.692
tors. eta vs tors. theta energy: -12.144
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: 1
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -158.449704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.449704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.449704 (E_RNA)
where:
Base-Base interactions energy: -104.554
where: short stacking energy: -51.569
Base-Backbone interact. energy: -0.921
local terms energy: -52.975093
where:
bonds (distance) C4'-P energy: -8.559
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -6.611
tors. eta vs tors. theta energy: -10.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -104.066263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.066263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.066263 (E_RNA)
where:
Base-Base interactions energy: -48.886
where: short stacking energy: -22.679
Base-Backbone interact. energy: -0.003
local terms energy: -55.177750
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -11.097
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -2.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -83.499760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.499760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.499760 (E_RNA)
where:
Base-Base interactions energy: -33.543
where: short stacking energy: -33.543
Base-Backbone interact. energy: -0.100
local terms energy: -49.857146
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -11.206
flat angles P-C4'-P energy: -5.035
tors. eta vs tors. theta energy: -4.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -91.914323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.914323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.914323 (E_RNA)
where:
Base-Base interactions energy: -50.780
where: short stacking energy: -22.132
Base-Backbone interact. energy: -0.129
local terms energy: -41.005309
where:
bonds (distance) C4'-P energy: -8.820
bonds (distance) P-C4' energy: -9.923
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: 1.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -74.998438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.998438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.998438 (E_RNA)
where:
Base-Base interactions energy: -24.815
where: short stacking energy: -24.815
Base-Backbone interact. energy: -0.017
local terms energy: -50.166662
where:
bonds (distance) C4'-P energy: -7.552
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -3.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -229.297025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.297025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.297025 (E_RNA)
where:
Base-Base interactions energy: -142.143
where: short stacking energy: -67.361
Base-Backbone interact. energy: -1.169
local terms energy: -85.984494
where:
bonds (distance) C4'-P energy: -17.502
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -20.431
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: 2
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -199.041877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.041877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.041877 (E_RNA)
where:
Base-Base interactions energy: -119.946
where: short stacking energy: -58.271
Base-Backbone interact. energy: -0.060
local terms energy: -79.035974
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -19.291
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: 5
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -220.249310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.249310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.249310 (E_RNA)
where:
Base-Base interactions energy: -147.021
where: short stacking energy: -70.922
Base-Backbone interact. energy: -1.227
local terms energy: -72.000639
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -20.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -208.874637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.874637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.874637 (E_RNA)
where:
Base-Base interactions energy: -134.919
where: short stacking energy: -66.952
Base-Backbone interact. energy: -0.091
local terms energy: -73.864165
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -16.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -175.119548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.119548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.119548 (E_RNA)
where:
Base-Base interactions energy: -105.745
where: short stacking energy: -63.050
Base-Backbone interact. energy: -0.072
local terms energy: -69.301864
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -19.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -164.671266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.671266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.671266 (E_RNA)
where:
Base-Base interactions energy: -98.751
where: short stacking energy: -52.966
Base-Backbone interact. energy: -0.028
local terms energy: -65.891791
where:
bonds (distance) C4'-P energy: -10.228
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -17.315
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: 313
Temperature: 1.200000
Total energy: -131.019409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.019409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.019409 (E_RNA)
where:
Base-Base interactions energy: -81.723
where: short stacking energy: -43.003
Base-Backbone interact. energy: -0.145
local terms energy: -49.151175
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -6.837
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -5.230
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: 8, replica: 3
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -97.979690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.979690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.979690 (E_RNA)
where:
Base-Base interactions energy: -47.175
where: short stacking energy: -45.351
Base-Backbone interact. energy: -0.102
local terms energy: -50.702235
where:
bonds (distance) C4'-P energy: -11.009
bonds (distance) P-C4' energy: -10.405
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -5.602
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: 9, replica: 4
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -95.837114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.837114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.837114 (E_RNA)
where:
Base-Base interactions energy: -40.111
where: short stacking energy: -25.956
Base-Backbone interact. energy: 0.730
local terms energy: -56.455874
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -5.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -73.036025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.036025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.036025 (E_RNA)
where:
Base-Base interactions energy: -28.569
where: short stacking energy: -28.569
Base-Backbone interact. energy: -0.292
local terms energy: -44.174928
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -12.449
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -6.127
tors. eta vs tors. theta energy: 1.508
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: 8
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -226.385742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.385742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.385742 (E_RNA)
where:
Base-Base interactions energy: -152.200
where: short stacking energy: -72.234
Base-Backbone interact. energy: -0.072
local terms energy: -74.113090
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -18.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -208.344709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.344709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.344709 (E_RNA)
where:
Base-Base interactions energy: -138.430
where: short stacking energy: -64.295
Base-Backbone interact. energy: -0.006
local terms energy: -69.908748
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -12.079
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: 3, replica: 6
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -220.213875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.213875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.213875 (E_RNA)
where:
Base-Base interactions energy: -143.778
where: short stacking energy: -64.060
Base-Backbone interact. energy: -0.587
local terms energy: -75.849184
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -20.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -204.085487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.085487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.085487 (E_RNA)
where:
Base-Base interactions energy: -137.818
where: short stacking energy: -64.476
Base-Backbone interact. energy: -0.004
local terms energy: -66.262884
where:
bonds (distance) C4'-P energy: -7.934
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -12.769
tors. eta vs tors. theta energy: -16.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -164.242686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.242686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.242686 (E_RNA)
where:
Base-Base interactions energy: -97.783
where: short stacking energy: -55.647
Base-Backbone interact. energy: -0.037
local terms energy: -66.422472
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -10.688
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -16.049
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: 6, replica: 9
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -164.021337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.021337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.021337 (E_RNA)
where:
Base-Base interactions energy: -97.837
where: short stacking energy: -53.598
Base-Backbone interact. energy: -0.053
local terms energy: -66.131402
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -13.912
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: 7, replica: 3
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -95.231469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.231469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.231469 (E_RNA)
where:
Base-Base interactions energy: -39.299
where: short stacking energy: -39.299
Base-Backbone interact. energy: -0.192
local terms energy: -55.740069
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -11.659
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -5.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -81.536503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.536503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.536503 (E_RNA)
where:
Base-Base interactions energy: -26.302
where: short stacking energy: -17.159
Base-Backbone interact. energy: -1.247
local terms energy: -53.986979
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -4.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -89.332600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.332600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.332600 (E_RNA)
where:
Base-Base interactions energy: -33.366
where: short stacking energy: -33.366
Base-Backbone interact. energy: -0.046
local terms energy: -55.921160
where:
bonds (distance) C4'-P energy: -8.025
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -10.186
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: 10, replica: 7
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -80.912828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.912828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.912828 (E_RNA)
where:
Base-Base interactions energy: -28.987
where: short stacking energy: -26.009
Base-Backbone interact. energy: -0.264
local terms energy: -51.661729
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -10.396
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -3.365
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: 1, replica: 8
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -230.143860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.143860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.143860 (E_RNA)
where:
Base-Base interactions energy: -148.321
where: short stacking energy: -73.908
Base-Backbone interact. energy: -0.140
local terms energy: -81.683349
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -12.829
flat angles C4'-P-C4' energy: -18.102
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -21.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -224.227002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.227002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.227002 (E_RNA)
where:
Base-Base interactions energy: -140.723
where: short stacking energy: -66.516
Base-Backbone interact. energy: -0.110
local terms energy: -83.394611
where:
bonds (distance) C4'-P energy: -17.569
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -22.592
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: 2
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -214.928872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.928872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.928872 (E_RNA)
where:
Base-Base interactions energy: -147.011
where: short stacking energy: -72.240
Base-Backbone interact. energy: -0.001
local terms energy: -67.916726
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -5.940
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -22.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -196.155327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.155327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.155327 (E_RNA)
where:
Base-Base interactions energy: -133.190
where: short stacking energy: -52.200
Base-Backbone interact. energy: -0.040
local terms energy: -62.925823
where:
bonds (distance) C4'-P energy: -3.675
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -10.057
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: 315
Temperature: 1.100000
Total energy: -146.631444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.631444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.631444 (E_RNA)
where:
Base-Base interactions energy: -93.988
where: short stacking energy: -50.641
Base-Backbone interact. energy: -0.143
local terms energy: -52.500104
where:
bonds (distance) C4'-P energy: -5.351
bonds (distance) P-C4' energy: -11.338
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -7.895
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: 6, replica: 3
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -106.195794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.195794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.195794 (E_RNA)
where:
Base-Base interactions energy: -49.304
where: short stacking energy: -33.897
Base-Backbone interact. energy: -0.012
local terms energy: -56.879786
where:
bonds (distance) C4'-P energy: -8.753
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -8.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -155.518874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.518874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.518874 (E_RNA)
where:
Base-Base interactions energy: -90.312
where: short stacking energy: -47.119
Base-Backbone interact. energy: -0.132
local terms energy: -65.074687
where:
bonds (distance) C4'-P energy: -11.604
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -13.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -89.116037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.116037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.116037 (E_RNA)
where:
Base-Base interactions energy: -35.189
where: short stacking energy: -23.766
Base-Backbone interact. energy: -0.682
local terms energy: -53.245068
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -1.203
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: 10
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -89.351752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.351752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.351752 (E_RNA)
where:
Base-Base interactions energy: -38.478
where: short stacking energy: -29.362
Base-Backbone interact. energy: -0.170
local terms energy: -50.703811
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -8.398
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -6.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -71.090518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.090518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.090518 (E_RNA)
where:
Base-Base interactions energy: -23.109
where: short stacking energy: -20.147
Base-Backbone interact. energy: 2.112
local terms energy: -50.093794
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: 0.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -224.666792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.666792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.666792 (E_RNA)
where:
Base-Base interactions energy: -149.541
where: short stacking energy: -72.272
Base-Backbone interact. energy: -0.008
local terms energy: -75.117100
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -5.054
tors. eta vs tors. theta energy: -20.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -226.827398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.827398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.827398 (E_RNA)
where:
Base-Base interactions energy: -147.143
where: short stacking energy: -70.345
Base-Backbone interact. energy: -1.256
local terms energy: -78.428375
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -20.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -205.193531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.193531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.193531 (E_RNA)
where:
Base-Base interactions energy: -144.596
where: short stacking energy: -55.672
Base-Backbone interact. energy: -0.095
local terms energy: -60.502506
where:
bonds (distance) C4'-P energy: -9.848
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -10.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -203.473305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.473305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.473305 (E_RNA)
where:
Base-Base interactions energy: -127.008
where: short stacking energy: -61.298
Base-Backbone interact. energy: -0.010
local terms energy: -76.455653
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -13.565
tors. eta vs tors. theta energy: -18.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -148.505334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.505334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.505334 (E_RNA)
where:
Base-Base interactions energy: -89.171
where: short stacking energy: -42.690
Base-Backbone interact. energy: -0.220
local terms energy: -59.114845
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -6.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -103.652863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.652863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.652863 (E_RNA)
where:
Base-Base interactions energy: -44.686
where: short stacking energy: -41.533
Base-Backbone interact. energy: -0.248
local terms energy: -58.718535
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -12.106
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -4.187
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: 9
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -156.411235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.411235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.411235 (E_RNA)
where:
Base-Base interactions energy: -90.744
where: short stacking energy: -53.921
Base-Backbone interact. energy: -0.613
local terms energy: -65.053610
where:
bonds (distance) C4'-P energy: -8.666
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -13.311
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: 8, replica: 4
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -87.519308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.519308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.519308 (E_RNA)
where:
Base-Base interactions energy: -34.911
where: short stacking energy: -34.911
Base-Backbone interact. energy: -0.114
local terms energy: -52.494035
where:
bonds (distance) C4'-P energy: -10.189
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -4.033
tors. eta vs tors. theta energy: -7.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -80.625761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.625761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.625761 (E_RNA)
where:
Base-Base interactions energy: -36.035
where: short stacking energy: -18.102
Base-Backbone interact. energy: 0.924
local terms energy: -45.514811
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -11.684
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: 3.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -81.519512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.519512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.519512 (E_RNA)
where:
Base-Base interactions energy: -39.238
where: short stacking energy: -23.989
Base-Backbone interact. energy: -0.489
local terms energy: -41.792917
where:
bonds (distance) C4'-P energy: -9.915
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -9.415
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -0.335
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: 8
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -227.257461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.257461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.257461 (E_RNA)
where:
Base-Base interactions energy: -150.112
where: short stacking energy: -75.229
Base-Backbone interact. energy: -0.323
local terms energy: -76.822878
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -20.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -217.669654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.669654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.669654 (E_RNA)
where:
Base-Base interactions energy: -143.977
where: short stacking energy: -65.451
Base-Backbone interact. energy: -0.305
local terms energy: -73.387234
where:
bonds (distance) C4'-P energy: -16.154
bonds (distance) P-C4' energy: -13.062
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -8.938
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: 6
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -201.558115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.558115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.558115 (E_RNA)
where:
Base-Base interactions energy: -130.904
where: short stacking energy: -54.506
Base-Backbone interact. energy: -0.093
local terms energy: -70.560859
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -15.130
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -10.555
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: 4, replica: 5
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -209.099415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.099415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.099415 (E_RNA)
where:
Base-Base interactions energy: -136.611
where: short stacking energy: -68.635
Base-Backbone interact. energy: -0.001
local terms energy: -72.487061
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -8.913
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: 5, replica: 1
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -140.725682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.725682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.725682 (E_RNA)
where:
Base-Base interactions energy: -91.088
where: short stacking energy: -47.721
Base-Backbone interact. energy: -0.215
local terms energy: -49.423129
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -9.642
flat angles P-C4'-P energy: -7.117
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: 6, replica: 9
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -157.471636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.471636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.471636 (E_RNA)
where:
Base-Base interactions energy: -93.926
where: short stacking energy: -47.877
Base-Backbone interact. energy: -0.112
local terms energy: -63.433540
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -9.929
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: 7, replica: 3
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -86.412270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.412270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.412270 (E_RNA)
where:
Base-Base interactions energy: -35.993
where: short stacking energy: -35.993
Base-Backbone interact. energy: -0.112
local terms energy: -50.307680
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -11.690
flat angles P-C4'-P energy: -4.247
tors. eta vs tors. theta energy: -6.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -97.834839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.834839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.834839 (E_RNA)
where:
Base-Base interactions energy: -39.933
where: short stacking energy: -35.506
Base-Backbone interact. energy: -0.187
local terms energy: -57.714717
where:
bonds (distance) C4'-P energy: -10.054
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -6.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -92.704955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.704955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.704955 (E_RNA)
where:
Base-Base interactions energy: -40.169
where: short stacking energy: -39.501
Base-Backbone interact. energy: -0.035
local terms energy: -52.501400
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -11.860
flat angles P-C4'-P energy: -2.822
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: 10, replica: 10
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -73.181088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.181088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.181088 (E_RNA)
where:
Base-Base interactions energy: -23.507
where: short stacking energy: -23.226
Base-Backbone interact. energy: -0.260
local terms energy: -49.413301
where:
bonds (distance) C4'-P energy: -8.731
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -2.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -221.178074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.178074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.178074 (E_RNA)
where:
Base-Base interactions energy: -147.209
where: short stacking energy: -58.961
Base-Backbone interact. energy: -0.719
local terms energy: -73.250211
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -20.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -209.023845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.023845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.023845 (E_RNA)
where:
Base-Base interactions energy: -133.052
where: short stacking energy: -54.879
Base-Backbone interact. energy: -1.676
local terms energy: -74.295738
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -17.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -209.885370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.885370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.885370 (E_RNA)
where:
Base-Base interactions energy: -137.056
where: short stacking energy: -67.165
Base-Backbone interact. energy: -0.002
local terms energy: -72.827186
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -16.518
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -7.960
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: 5
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -202.806042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.806042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.806042 (E_RNA)
where:
Base-Base interactions energy: -135.781
where: short stacking energy: -49.361
Base-Backbone interact. energy: -0.186
local terms energy: -66.838580
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -7.779
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: 5, replica: 1
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -159.019402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.019402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.019402 (E_RNA)
where:
Base-Base interactions energy: -99.514
where: short stacking energy: -55.458
Base-Backbone interact. energy: 1.959
local terms energy: -61.464605
where:
bonds (distance) C4'-P energy: -10.239
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -7.351
tors. eta vs tors. theta energy: -13.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -137.307727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.307727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.307727 (E_RNA)
where:
Base-Base interactions energy: -86.833
where: short stacking energy: -48.902
Base-Backbone interact. energy: 0.051
local terms energy: -50.526365
where:
bonds (distance) C4'-P energy: -8.708
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -10.833
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -8.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -121.194931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.194931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.194931 (E_RNA)
where:
Base-Base interactions energy: -65.167
where: short stacking energy: -30.265
Base-Backbone interact. energy: -0.315
local terms energy: -55.712802
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -10.778
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -2.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -88.252764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.252764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.252764 (E_RNA)
where:
Base-Base interactions energy: -35.892
where: short stacking energy: -35.892
Base-Backbone interact. energy: -0.066
local terms energy: -52.294659
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -8.682
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -5.715
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: 10
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -75.853374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.853374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.853374 (E_RNA)
where:
Base-Base interactions energy: -33.084
where: short stacking energy: -25.166
Base-Backbone interact. energy: -0.350
local terms energy: -42.419723
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -10.242
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: -0.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -80.951955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.951955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.951955 (E_RNA)
where:
Base-Base interactions energy: -28.227
where: short stacking energy: -26.873
Base-Backbone interact. energy: -0.814
local terms energy: -51.910890
where:
bonds (distance) C4'-P energy: -10.200
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -4.283
tors. eta vs tors. theta energy: -5.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -226.568371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.568371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.568371 (E_RNA)
where:
Base-Base interactions energy: -144.066
where: short stacking energy: -73.205
Base-Backbone interact. energy: -0.041
local terms energy: -82.461297
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -21.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -215.372776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.372776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.372776 (E_RNA)
where:
Base-Base interactions energy: -141.374
where: short stacking energy: -60.907
Base-Backbone interact. energy: -1.957
local terms energy: -72.041793
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -20.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -208.492902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.492902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.492902 (E_RNA)
where:
Base-Base interactions energy: -137.149
where: short stacking energy: -51.734
Base-Backbone interact. energy: -0.107
local terms energy: -71.236613
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -13.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -209.766278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.766278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.766278 (E_RNA)
where:
Base-Base interactions energy: -130.680
where: short stacking energy: -61.459
Base-Backbone interact. energy: -0.022
local terms energy: -79.064612
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -20.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -166.386916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.386916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.386916 (E_RNA)
where:
Base-Base interactions energy: -109.085
where: short stacking energy: -42.193
Base-Backbone interact. energy: -0.095
local terms energy: -57.206568
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -6.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -159.820759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.820759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.820759 (E_RNA)
where:
Base-Base interactions energy: -102.487
where: short stacking energy: -38.464
Base-Backbone interact. energy: -0.181
local terms energy: -57.152462
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -8.820
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -8.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -139.974882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.974882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.974882 (E_RNA)
where:
Base-Base interactions energy: -78.024
where: short stacking energy: -53.517
Base-Backbone interact. energy: -0.017
local terms energy: -61.933087
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -7.961
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: 319
Temperature: 1.250000
Total energy: -102.923941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.923941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.923941 (E_RNA)
where:
Base-Base interactions energy: -45.330
where: short stacking energy: -45.330
Base-Backbone interact. energy: -0.437
local terms energy: -57.157498
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -8.899
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -6.235
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: 9, replica: 3
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -77.716128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.716128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.716128 (E_RNA)
where:
Base-Base interactions energy: -26.667
where: short stacking energy: -26.667
Base-Backbone interact. energy: -0.012
local terms energy: -51.037067
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -9.331
flat angles P-C4'-P energy: -5.673
tors. eta vs tors. theta energy: -4.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -110.316267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.316267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.316267 (E_RNA)
where:
Base-Base interactions energy: -46.983
where: short stacking energy: -46.983
Base-Backbone interact. energy: -0.064
local terms energy: -63.269971
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -11.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -219.894865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.894865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.894865 (E_RNA)
where:
Base-Base interactions energy: -141.163
where: short stacking energy: -66.510
Base-Backbone interact. energy: -0.916
local terms energy: -77.816322
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -19.612
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: 6
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -209.140758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.140758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.140758 (E_RNA)
where:
Base-Base interactions energy: -142.669
where: short stacking energy: -55.664
Base-Backbone interact. energy: -0.379
local terms energy: -66.092762
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -15.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -214.691557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.691557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.691557 (E_RNA)
where:
Base-Base interactions energy: -140.820
where: short stacking energy: -63.749
Base-Backbone interact. energy: -0.008
local terms energy: -73.863691
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -18.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -206.829725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.829725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.829725 (E_RNA)
where:
Base-Base interactions energy: -139.221
where: short stacking energy: -52.553
Base-Backbone interact. energy: -0.215
local terms energy: -67.394261
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -17.932
flat angles P-C4'-P energy: -8.955
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: 5, replica: 1
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -163.186844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.186844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.186844 (E_RNA)
where:
Base-Base interactions energy: -110.915
where: short stacking energy: -51.124
Base-Backbone interact. energy: -0.079
local terms energy: -52.192732
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -9.350
flat angles P-C4'-P energy: -5.635
tors. eta vs tors. theta energy: -9.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -157.808556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.808556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.808556 (E_RNA)
where:
Base-Base interactions energy: -101.581
where: short stacking energy: -39.661
Base-Backbone interact. energy: -0.266
local terms energy: -55.962170
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -10.426
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -8.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -159.490940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.490940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.490940 (E_RNA)
where:
Base-Base interactions energy: -101.004
where: short stacking energy: -48.267
Base-Backbone interact. energy: -0.293
local terms energy: -58.194541
where:
bonds (distance) C4'-P energy: -9.284
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -11.098
flat angles P-C4'-P energy: -11.941
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: 10
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -83.211724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.211724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.211724 (E_RNA)
where:
Base-Base interactions energy: -31.894
where: short stacking energy: -31.688
Base-Backbone interact. energy: -0.605
local terms energy: -50.713187
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -17.300
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -6.314
tors. eta vs tors. theta energy: -0.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -82.613592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.613592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.613592 (E_RNA)
where:
Base-Base interactions energy: -29.311
where: short stacking energy: -22.758
Base-Backbone interact. energy: 1.083
local terms energy: -54.385785
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -9.779
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -4.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -86.869213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.869213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.869213 (E_RNA)
where:
Base-Base interactions energy: -33.841
where: short stacking energy: -34.741
Base-Backbone interact. energy: -0.052
local terms energy: -52.976919
where:
bonds (distance) C4'-P energy: -10.199
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -9.695
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -5.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -221.987800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.987800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.987800 (E_RNA)
where:
Base-Base interactions energy: -139.183
where: short stacking energy: -68.240
Base-Backbone interact. energy: -0.013
local terms energy: -82.792015
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -20.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -221.771794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.771794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.771794 (E_RNA)
where:
Base-Base interactions energy: -150.422
where: short stacking energy: -67.422
Base-Backbone interact. energy: -1.145
local terms energy: -70.204492
where:
bonds (distance) C4'-P energy: -7.801
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -20.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -215.580574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.580574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.580574 (E_RNA)
where:
Base-Base interactions energy: -141.072
where: short stacking energy: -69.125
Base-Backbone interact. energy: 0.140
local terms energy: -74.649154
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -18.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -192.407360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.407360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.407360 (E_RNA)
where:
Base-Base interactions energy: -122.797
where: short stacking energy: -60.211
Base-Backbone interact. energy: -0.605
local terms energy: -69.004608
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -17.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -183.559398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.559398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.559398 (E_RNA)
where:
Base-Base interactions energy: -120.773
where: short stacking energy: -53.163
Base-Backbone interact. energy: -0.023
local terms energy: -62.763238
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -3.238
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: 6, replica: 7
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -165.283027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.283027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.283027 (E_RNA)
where:
Base-Base interactions energy: -102.734
where: short stacking energy: -57.276
Base-Backbone interact. energy: -0.679
local terms energy: -61.869906
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -7.605
tors. eta vs tors. theta energy: -14.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -154.850406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.850406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.850406 (E_RNA)
where:
Base-Base interactions energy: -92.106
where: short stacking energy: -45.336
Base-Backbone interact. energy: -0.077
local terms energy: -62.667869
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -11.170
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -15.415
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: 4
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -84.971100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.971100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.971100 (E_RNA)
where:
Base-Base interactions energy: -37.405
where: short stacking energy: -31.671
Base-Backbone interact. energy: 1.410
local terms energy: -48.976320
where:
bonds (distance) C4'-P energy: -10.780
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -0.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -85.016392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.016392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.016392 (E_RNA)
where:
Base-Base interactions energy: -35.864
where: short stacking energy: -20.570
Base-Backbone interact. energy: -1.384
local terms energy: -47.768548
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -9.709
flat angles P-C4'-P energy: -5.213
tors. eta vs tors. theta energy: -0.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -80.602304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.602304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.602304 (E_RNA)
where:
Base-Base interactions energy: -26.423
where: short stacking energy: -23.799
Base-Backbone interact. energy: -0.449
local terms energy: -53.730424
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -12.334
flat angles P-C4'-P energy: -4.976
tors. eta vs tors. theta energy: -6.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -219.496039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.496039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.496039 (E_RNA)
where:
Base-Base interactions energy: -139.302
where: short stacking energy: -64.581
Base-Backbone interact. energy: -1.341
local terms energy: -78.853155
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -17.164
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -19.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -216.771188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.771188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.771188 (E_RNA)
where:
Base-Base interactions energy: -142.694
where: short stacking energy: -69.953
Base-Backbone interact. energy: -0.100
local terms energy: -73.977586
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -19.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -219.861477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.861477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.861477 (E_RNA)
where:
Base-Base interactions energy: -140.008
where: short stacking energy: -69.829
Base-Backbone interact. energy: -0.006
local terms energy: -79.847918
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -18.650
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -21.628
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: 1
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -181.505313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.505313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.505313 (E_RNA)
where:
Base-Base interactions energy: -117.628
where: short stacking energy: -59.384
Base-Backbone interact. energy: -0.235
local terms energy: -63.642491
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -7.520
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: 5, replica: 8
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -183.086411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.086411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.086411 (E_RNA)
where:
Base-Base interactions energy: -129.301
where: short stacking energy: -47.735
Base-Backbone interact. energy: -0.099
local terms energy: -53.687059
where:
bonds (distance) C4'-P energy: -10.622
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -4.455
tors. eta vs tors. theta energy: -9.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -133.501206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.501206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.501206 (E_RNA)
where:
Base-Base interactions energy: -72.945
where: short stacking energy: -33.377
Base-Backbone interact. energy: -0.131
local terms energy: -60.425978
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -10.041
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -5.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -134.626603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.626603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.626603 (E_RNA)
where:
Base-Base interactions energy: -83.679
where: short stacking energy: -35.301
Base-Backbone interact. energy: -0.269
local terms energy: -50.678360
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -11.408
flat angles C4'-P-C4' energy: -8.898
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -2.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -97.815207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.815207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.815207 (E_RNA)
where:
Base-Base interactions energy: -40.971
where: short stacking energy: -40.971
Base-Backbone interact. energy: -0.101
local terms energy: -56.743225
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -7.573
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -11.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -88.344226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.344226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.344226 (E_RNA)
where:
Base-Base interactions energy: -37.419
where: short stacking energy: -20.690
Base-Backbone interact. energy: -0.281
local terms energy: -50.644567
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -0.891
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: 10
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -76.633640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.633640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.633640 (E_RNA)
where:
Base-Base interactions energy: -30.705
where: short stacking energy: -30.705
Base-Backbone interact. energy: 0.474
local terms energy: -46.403030
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -13.463
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -1.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -221.709220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.709220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.709220 (E_RNA)
where:
Base-Base interactions energy: -149.221
where: short stacking energy: -68.897
Base-Backbone interact. energy: -0.018
local terms energy: -72.470257
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -11.000
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: 2, replica: 6
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -216.466851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.466851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.466851 (E_RNA)
where:
Base-Base interactions energy: -142.698
where: short stacking energy: -69.239
Base-Backbone interact. energy: 0.451
local terms energy: -74.219301
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -20.375
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: 2
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -217.427218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.427218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.427218 (E_RNA)
where:
Base-Base interactions energy: -142.985
where: short stacking energy: -67.317
Base-Backbone interact. energy: 0.169
local terms energy: -74.610925
where:
bonds (distance) C4'-P energy: -8.074
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -18.902
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -21.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -198.548260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.548260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.548260 (E_RNA)
where:
Base-Base interactions energy: -136.892
where: short stacking energy: -55.237
Base-Backbone interact. energy: -0.076
local terms energy: -61.580476
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -4.405
tors. eta vs tors. theta energy: -11.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -169.222729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.222729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.222729 (E_RNA)
where:
Base-Base interactions energy: -98.982
where: short stacking energy: -56.224
Base-Backbone interact. energy: -0.253
local terms energy: -69.988469
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -15.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -151.674146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.674146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.674146 (E_RNA)
where:
Base-Base interactions energy: -85.692
where: short stacking energy: -44.831
Base-Backbone interact. energy: -0.065
local terms energy: -65.916931
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -12.291
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: 7, replica: 7
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -142.915536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.915536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.915536 (E_RNA)
where:
Base-Base interactions energy: -80.981
where: short stacking energy: -43.383
Base-Backbone interact. energy: -0.703
local terms energy: -61.230853
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -5.692
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: 8, replica: 3
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -81.978159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.978159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.978159 (E_RNA)
where:
Base-Base interactions energy: -34.937
where: short stacking energy: -31.224
Base-Backbone interact. energy: 1.149
local terms energy: -48.190345
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -4.041
tors. eta vs tors. theta energy: -3.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -87.130115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.130115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.130115 (E_RNA)
where:
Base-Base interactions energy: -38.199
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.219
local terms energy: -48.711830
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -11.750
flat angles P-C4'-P energy: -4.036
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: 10
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -87.448827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.448827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.448827 (E_RNA)
where:
Base-Base interactions energy: -32.477
where: short stacking energy: -32.354
Base-Backbone interact. energy: -0.052
local terms energy: -54.920238
where:
bonds (distance) C4'-P energy: -9.920
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -9.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -224.214691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.214691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.214691 (E_RNA)
where:
Base-Base interactions energy: -147.773
where: short stacking energy: -59.637
Base-Backbone interact. energy: -0.326
local terms energy: -76.115370
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -5.888
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: 5
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -218.279042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.279042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.279042 (E_RNA)
where:
Base-Base interactions energy: -145.552
where: short stacking energy: -72.069
Base-Backbone interact. energy: -0.030
local terms energy: -72.696534
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -21.131
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: 3, replica: 8
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -202.389237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.389237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.389237 (E_RNA)
where:
Base-Base interactions energy: -142.640
where: short stacking energy: -46.218
Base-Backbone interact. energy: -2.420
local terms energy: -57.328883
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -9.686
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -11.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -215.932719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.932719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.932719 (E_RNA)
where:
Base-Base interactions energy: -142.495
where: short stacking energy: -55.020
Base-Backbone interact. energy: -0.493
local terms energy: -72.945276
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -18.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -154.730533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.730533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.730533 (E_RNA)
where:
Base-Base interactions energy: -96.627
where: short stacking energy: -53.602
Base-Backbone interact. energy: -0.169
local terms energy: -57.934521
where:
bonds (distance) C4'-P energy: -13.898
bonds (distance) P-C4' energy: -10.334
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -7.818
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: 1
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -164.681517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.681517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.681517 (E_RNA)
where:
Base-Base interactions energy: -103.883
where: short stacking energy: -54.830
Base-Backbone interact. energy: -0.866
local terms energy: -59.931705
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -11.013
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -12.248
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: 7
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -135.933312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.933312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.933312 (E_RNA)
where:
Base-Base interactions energy: -79.540
where: short stacking energy: -39.771
Base-Backbone interact. energy: -0.287
local terms energy: -56.106303
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -3.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -81.012216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.012216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.012216 (E_RNA)
where:
Base-Base interactions energy: -36.108
where: short stacking energy: -32.075
Base-Backbone interact. energy: 0.451
local terms energy: -45.355133
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -11.629
flat angles C4'-P-C4' energy: -10.343
flat angles P-C4'-P energy: -6.527
tors. eta vs tors. theta energy: -6.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -87.064489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.064489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.064489 (E_RNA)
where:
Base-Base interactions energy: -36.269
where: short stacking energy: -23.972
Base-Backbone interact. energy: -0.104
local terms energy: -50.691422
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -9.617
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -3.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -86.257183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.257183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.257183 (E_RNA)
where:
Base-Base interactions energy: -38.726
where: short stacking energy: -30.950
Base-Backbone interact. energy: -0.829
local terms energy: -46.702183
where:
bonds (distance) C4'-P energy: -9.048
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -10.019
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -2.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -215.369666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.369666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.369666 (E_RNA)
where:
Base-Base interactions energy: -141.635
where: short stacking energy: -55.625
Base-Backbone interact. energy: -0.388
local terms energy: -73.346708
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -6.172
tors. eta vs tors. theta energy: -19.241
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: 8
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -225.983594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.983594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.983594 (E_RNA)
where:
Base-Base interactions energy: -152.545
where: short stacking energy: -54.204
Base-Backbone interact. energy: -2.106
local terms energy: -71.332392
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -17.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -216.626091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.626091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.626091 (E_RNA)
where:
Base-Base interactions energy: -142.196
where: short stacking energy: -70.010
Base-Backbone interact. energy: -0.133
local terms energy: -74.296586
where:
bonds (distance) C4'-P energy: -13.715
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -9.883
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: 4, replica: 2
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -206.397893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.397893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.397893 (E_RNA)
where:
Base-Base interactions energy: -135.971
where: short stacking energy: -52.258
Base-Backbone interact. energy: -0.014
local terms energy: -70.412955
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -18.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -168.947805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.947805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.947805 (E_RNA)
where:
Base-Base interactions energy: -108.935
where: short stacking energy: -56.146
Base-Backbone interact. energy: -0.165
local terms energy: -59.848104
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -9.716
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -15.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -160.079173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.079173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.079173 (E_RNA)
where:
Base-Base interactions energy: -104.061
where: short stacking energy: -40.678
Base-Backbone interact. energy: -0.470
local terms energy: -55.548358
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -8.747
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -10.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -160.794877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.794877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.794877 (E_RNA)
where:
Base-Base interactions energy: -98.085
where: short stacking energy: -44.678
Base-Backbone interact. energy: -0.215
local terms energy: -62.495244
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -10.447
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -10.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -80.967973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.967973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.967973 (E_RNA)
where:
Base-Base interactions energy: -31.184
where: short stacking energy: -31.184
Base-Backbone interact. energy: 0.305
local terms energy: -50.088663
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -6.845
flat angles P-C4'-P energy: -6.468
tors. eta vs tors. theta energy: -8.786
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: 10
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -87.070826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.070826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.070826 (E_RNA)
where:
Base-Base interactions energy: -40.374
where: short stacking energy: -23.797
Base-Backbone interact. energy: -0.471
local terms energy: -46.225619
where:
bonds (distance) C4'-P energy: -11.148
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -10.441
flat angles P-C4'-P energy: -10.531
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: 10, replica: 4
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -96.926885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.926885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.926885 (E_RNA)
where:
Base-Base interactions energy: -52.435
where: short stacking energy: -31.344
Base-Backbone interact. energy: -0.767
local terms energy: -43.725275
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -8.254
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -0.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -225.014680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.014680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.014680 (E_RNA)
where:
Base-Base interactions energy: -153.513
where: short stacking energy: -63.229
Base-Backbone interact. energy: -0.147
local terms energy: -71.354913
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -14.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -224.070008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.070008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.070008 (E_RNA)
where:
Base-Base interactions energy: -146.417
where: short stacking energy: -60.969
Base-Backbone interact. energy: -0.545
local terms energy: -77.107489
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -19.899
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: 3, replica: 2
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -218.205634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.205634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.205634 (E_RNA)
where:
Base-Base interactions energy: -144.423
where: short stacking energy: -64.403
Base-Backbone interact. energy: -0.068
local terms energy: -73.714119
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -20.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -209.424891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.424891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.424891 (E_RNA)
where:
Base-Base interactions energy: -135.693
where: short stacking energy: -67.476
Base-Backbone interact. energy: -0.002
local terms energy: -73.729322
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -18.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -161.564848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.564848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.564848 (E_RNA)
where:
Base-Base interactions energy: -105.244
where: short stacking energy: -51.687
Base-Backbone interact. energy: -0.257
local terms energy: -56.064302
where:
bonds (distance) C4'-P energy: -6.788
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -12.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -176.201919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.201919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.201919 (E_RNA)
where:
Base-Base interactions energy: -111.506
where: short stacking energy: -55.370
Base-Backbone interact. energy: -1.625
local terms energy: -63.069985
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -9.753
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -15.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -154.626600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.626600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.626600 (E_RNA)
where:
Base-Base interactions energy: -92.417
where: short stacking energy: -46.373
Base-Backbone interact. energy: -0.154
local terms energy: -62.055762
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -10.912
flat angles P-C4'-P energy: -13.288
tors. eta vs tors. theta energy: -12.121
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: 3
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -85.598157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.598157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.598157 (E_RNA)
where:
Base-Base interactions energy: -30.042
where: short stacking energy: -25.961
Base-Backbone interact. energy: -1.104
local terms energy: -54.452147
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -5.657
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -7.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -77.492863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.492863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.492863 (E_RNA)
where:
Base-Base interactions energy: -30.876
where: short stacking energy: -30.976
Base-Backbone interact. energy: -0.234
local terms energy: -46.382610
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -11.614
flat angles C4'-P-C4' energy: -12.925
flat angles P-C4'-P energy: -7.004
tors. eta vs tors. theta energy: -4.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -67.511399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.511399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.511399 (E_RNA)
where:
Base-Base interactions energy: -19.915
where: short stacking energy: -16.193
Base-Backbone interact. energy: -0.202
local terms energy: -47.393628
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -4.829
tors. eta vs tors. theta energy: 0.219
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: 8
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -224.968146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.968146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.968146 (E_RNA)
where:
Base-Base interactions energy: -150.662
where: short stacking energy: -60.452
Base-Backbone interact. energy: -0.517
local terms energy: -73.789537
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -16.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -224.996402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.996402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.996402 (E_RNA)
where:
Base-Base interactions energy: -143.354
where: short stacking energy: -64.244
Base-Backbone interact. energy: -1.755
local terms energy: -79.886974
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -16.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -217.672097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.672097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.672097 (E_RNA)
where:
Base-Base interactions energy: -143.201
where: short stacking energy: -66.099
Base-Backbone interact. energy: -2.197
local terms energy: -72.273669
where:
bonds (distance) C4'-P energy: -10.946
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -18.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -172.070099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.070099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.070099 (E_RNA)
where:
Base-Base interactions energy: -109.560
where: short stacking energy: -56.825
Base-Backbone interact. energy: -0.110
local terms energy: -62.400758
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -13.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -194.235460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.235460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.235460 (E_RNA)
where:
Base-Base interactions energy: -136.196
where: short stacking energy: -55.225
Base-Backbone interact. energy: -0.098
local terms energy: -57.942022
where:
bonds (distance) C4'-P energy: -10.046
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -9.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -151.084464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.084464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.084464 (E_RNA)
where:
Base-Base interactions energy: -89.927
where: short stacking energy: -37.077
Base-Backbone interact. energy: -0.111
local terms energy: -61.046774
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -10.437
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: 7, replica: 1
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -146.785946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.785946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.785946 (E_RNA)
where:
Base-Base interactions energy: -84.180
where: short stacking energy: -47.935
Base-Backbone interact. energy: -0.628
local terms energy: -61.978368
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -13.049
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -9.685
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: 8, replica: 4
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -92.161495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.161495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.161495 (E_RNA)
where:
Base-Base interactions energy: -31.171
where: short stacking energy: -32.171
Base-Backbone interact. energy: -0.133
local terms energy: -60.857039
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -5.854
tors. eta vs tors. theta energy: -6.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -95.359817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.359817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.359817 (E_RNA)
where:
Base-Base interactions energy: -56.288
where: short stacking energy: -24.463
Base-Backbone interact. energy: -0.279
local terms energy: -38.792680
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -6.158
flat angles P-C4'-P energy: -6.448
tors. eta vs tors. theta energy: 1.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -76.510088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.510088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.510088 (E_RNA)
where:
Base-Base interactions energy: -32.839
where: short stacking energy: -21.193
Base-Backbone interact. energy: -0.170
local terms energy: -43.501676
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: 5.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -236.924380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.924380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.924380 (E_RNA)
where:
Base-Base interactions energy: -157.910
where: short stacking energy: -66.226
Base-Backbone interact. energy: -0.800
local terms energy: -78.215039
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -11.265
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: 2, replica: 6
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -219.473746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.473746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.473746 (E_RNA)
where:
Base-Base interactions energy: -151.487
where: short stacking energy: -61.978
Base-Backbone interact. energy: -0.154
local terms energy: -67.832874
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -16.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -209.989977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.989977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.989977 (E_RNA)
where:
Base-Base interactions energy: -141.843
where: short stacking energy: -46.248
Base-Backbone interact. energy: -1.397
local terms energy: -66.750250
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -14.065
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -15.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -175.963018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.963018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.963018 (E_RNA)
where:
Base-Base interactions energy: -107.431
where: short stacking energy: -45.098
Base-Backbone interact. energy: -0.709
local terms energy: -67.823222
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -10.039
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: 5, replica: 5
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -187.975585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.975585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.975585 (E_RNA)
where:
Base-Base interactions energy: -112.509
where: short stacking energy: -51.916
Base-Backbone interact. energy: -0.100
local terms energy: -75.367403
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -16.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -140.380367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.380367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.380367 (E_RNA)
where:
Base-Base interactions energy: -86.599
where: short stacking energy: -35.216
Base-Backbone interact. energy: -0.687
local terms energy: -53.094572
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -4.682
tors. eta vs tors. theta energy: -4.753
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: 1
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -132.005693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.005693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.005693 (E_RNA)
where:
Base-Base interactions energy: -79.472
where: short stacking energy: -46.740
Base-Backbone interact. energy: -0.205
local terms energy: -52.329389
where:
bonds (distance) C4'-P energy: -10.850
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -8.491
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -9.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -87.410411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.410411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.410411 (E_RNA)
where:
Base-Base interactions energy: -39.726
where: short stacking energy: -21.217
Base-Backbone interact. energy: -1.990
local terms energy: -45.694357
where:
bonds (distance) C4'-P energy: -8.116
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -11.034
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -0.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -96.573980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.573980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.573980 (E_RNA)
where:
Base-Base interactions energy: -53.340
where: short stacking energy: -27.531
Base-Backbone interact. energy: -0.795
local terms energy: -42.439020
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -9.894
flat angles C4'-P-C4' energy: -7.181
flat angles P-C4'-P energy: -2.908
tors. eta vs tors. theta energy: -9.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -99.066299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.066299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.066299 (E_RNA)
where:
Base-Base interactions energy: -43.415
where: short stacking energy: -32.485
Base-Backbone interact. energy: -0.101
local terms energy: -55.550921
where:
bonds (distance) C4'-P energy: -7.582
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -9.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -224.617250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.617250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.617250 (E_RNA)
where:
Base-Base interactions energy: -150.885
where: short stacking energy: -60.955
Base-Backbone interact. energy: -0.038
local terms energy: -73.694772
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: -10.601
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: 2, replica: 6
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -215.551803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.551803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.551803 (E_RNA)
where:
Base-Base interactions energy: -143.520
where: short stacking energy: -65.338
Base-Backbone interact. energy: -0.002
local terms energy: -72.029706
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -4.281
tors. eta vs tors. theta energy: -20.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -216.035780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.035780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.035780 (E_RNA)
where:
Base-Base interactions energy: -139.476
where: short stacking energy: -70.017
Base-Backbone interact. energy: 0.410
local terms energy: -76.969683
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -19.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -198.609917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.609917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.609917 (E_RNA)
where:
Base-Base interactions energy: -126.007
where: short stacking energy: -63.979
Base-Backbone interact. energy: -0.158
local terms energy: -72.444247
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -11.964
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -18.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -158.554433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.554433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.554433 (E_RNA)
where:
Base-Base interactions energy: -96.769
where: short stacking energy: -49.291
Base-Backbone interact. energy: -0.625
local terms energy: -61.160970
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -12.922
flat angles C4'-P-C4' energy: -12.059
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -15.667
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: 1
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -157.737973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.737973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.737973 (E_RNA)
where:
Base-Base interactions energy: -96.242
where: short stacking energy: -48.549
Base-Backbone interact. energy: 0.758
local terms energy: -62.253576
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -148.916915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.916915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.916915 (E_RNA)
where:
Base-Base interactions energy: -89.300
where: short stacking energy: -47.126
Base-Backbone interact. energy: -0.635
local terms energy: -58.982056
where:
bonds (distance) C4'-P energy: -7.438
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -6.439
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: 10
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -82.067197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.067197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.067197 (E_RNA)
where:
Base-Base interactions energy: -29.862
where: short stacking energy: -29.862
Base-Backbone interact. energy: -0.121
local terms energy: -52.084963
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -4.015
tors. eta vs tors. theta energy: -3.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -79.034553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.034553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.034553 (E_RNA)
where:
Base-Base interactions energy: -29.459
where: short stacking energy: -29.100
Base-Backbone interact. energy: -0.106
local terms energy: -49.469934
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -11.241
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -4.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -76.095759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.095759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.095759 (E_RNA)
where:
Base-Base interactions energy: -29.534
where: short stacking energy: -29.820
Base-Backbone interact. energy: -0.168
local terms energy: -46.393542
where:
bonds (distance) C4'-P energy: -5.867
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -9.435
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -8.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -222.698441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.698441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.698441 (E_RNA)
where:
Base-Base interactions energy: -146.926
where: short stacking energy: -58.515
Base-Backbone interact. energy: -1.204
local terms energy: -74.568413
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -14.581
tors. eta vs tors. theta energy: -15.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -213.099613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.099613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.099613 (E_RNA)
where:
Base-Base interactions energy: -142.300
where: short stacking energy: -61.317
Base-Backbone interact. energy: -1.449
local terms energy: -69.350725
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -18.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -202.480679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.480679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.480679 (E_RNA)
where:
Base-Base interactions energy: -138.789
where: short stacking energy: -53.555
Base-Backbone interact. energy: -0.356
local terms energy: -63.335065
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -4.930
tors. eta vs tors. theta energy: -16.250
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: 4, replica: 9
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -160.074233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.074233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.074233 (E_RNA)
where:
Base-Base interactions energy: -104.787
where: short stacking energy: -54.139
Base-Backbone interact. energy: -0.207
local terms energy: -55.080683
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -3.625
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: 5, replica: 5
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -185.870675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.870675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.870675 (E_RNA)
where:
Base-Base interactions energy: -125.421
where: short stacking energy: -64.033
Base-Backbone interact. energy: -0.002
local terms energy: -60.447820
where:
bonds (distance) C4'-P energy: -8.939
bonds (distance) P-C4' energy: -7.724
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -18.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -138.910763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.910763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.910763 (E_RNA)
where:
Base-Base interactions energy: -85.341
where: short stacking energy: -37.297
Base-Backbone interact. energy: -0.248
local terms energy: -53.321111
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -0.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -154.031917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.031917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.031917 (E_RNA)
where:
Base-Base interactions energy: -90.402
where: short stacking energy: -32.855
Base-Backbone interact. energy: -0.473
local terms energy: -63.157430
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -14.999
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -6.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -90.084688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.084688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.084688 (E_RNA)
where:
Base-Base interactions energy: -33.775
where: short stacking energy: -33.106
Base-Backbone interact. energy: -0.272
local terms energy: -56.037124
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -7.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -74.386558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.386558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.386558 (E_RNA)
where:
Base-Base interactions energy: -23.384
where: short stacking energy: -18.270
Base-Backbone interact. energy: -0.213
local terms energy: -50.789653
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -10.207
flat angles P-C4'-P energy: -10.876
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: 4
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -81.683101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.683101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.683101 (E_RNA)
where:
Base-Base interactions energy: -32.913
where: short stacking energy: -32.913
Base-Backbone interact. energy: -0.078
local terms energy: -48.692496
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -5.797
tors. eta vs tors. theta energy: -1.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -221.366176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.366176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.366176 (E_RNA)
where:
Base-Base interactions energy: -151.465
where: short stacking energy: -59.819
Base-Backbone interact. energy: -0.315
local terms energy: -69.585813
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -12.580
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -7.950
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: 2, replica: 2
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -214.926569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.926569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.926569 (E_RNA)
where:
Base-Base interactions energy: -143.643
where: short stacking energy: -72.403
Base-Backbone interact. energy: 0.323
local terms energy: -71.606493
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -17.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -219.710563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.710563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.710563 (E_RNA)
where:
Base-Base interactions energy: -138.202
where: short stacking energy: -66.338
Base-Backbone interact. energy: -1.258
local terms energy: -80.249883
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -14.551
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: 5
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -190.421612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.421612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.421612 (E_RNA)
where:
Base-Base interactions energy: -123.213
where: short stacking energy: -59.579
Base-Backbone interact. energy: -0.010
local terms energy: -67.198381
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -10.699
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: 5, replica: 9
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -173.138350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.138350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.138350 (E_RNA)
where:
Base-Base interactions energy: -105.240
where: short stacking energy: -51.905
Base-Backbone interact. energy: -0.055
local terms energy: -67.843715
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -16.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -140.562983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.562983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.562983 (E_RNA)
where:
Base-Base interactions energy: -85.037
where: short stacking energy: -39.893
Base-Backbone interact. energy: -0.568
local terms energy: -54.957298
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -9.965
flat angles P-C4'-P energy: -5.746
tors. eta vs tors. theta energy: -8.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -171.422401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.422401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.422401 (E_RNA)
where:
Base-Base interactions energy: -104.371
where: short stacking energy: -60.004
Base-Backbone interact. energy: 2.504
local terms energy: -69.555230
where:
bonds (distance) C4'-P energy: -11.336
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: -14.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -81.920161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.920161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.920161 (E_RNA)
where:
Base-Base interactions energy: -28.267
where: short stacking energy: -26.331
Base-Backbone interact. energy: -0.998
local terms energy: -52.655219
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -4.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -82.897479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.897479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.897479 (E_RNA)
where:
Base-Base interactions energy: -32.763
where: short stacking energy: -24.686
Base-Backbone interact. energy: -0.055
local terms energy: -50.079668
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -14.689
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -5.830
tors. eta vs tors. theta energy: -3.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -80.441715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.441715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.441715 (E_RNA)
where:
Base-Base interactions energy: -40.540
where: short stacking energy: -20.243
Base-Backbone interact. energy: -0.187
local terms energy: -39.714149
where:
bonds (distance) C4'-P energy: -8.576
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.279
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: 2.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -221.326221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.326221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.326221 (E_RNA)
where:
Base-Base interactions energy: -135.480
where: short stacking energy: -66.852
Base-Backbone interact. energy: -1.964
local terms energy: -83.881536
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -13.993
tors. eta vs tors. theta energy: -20.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -221.914660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.914660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.914660 (E_RNA)
where:
Base-Base interactions energy: -146.839
where: short stacking energy: -64.888
Base-Backbone interact. energy: -0.004
local terms energy: -75.071916
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -18.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -211.479220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.479220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.479220 (E_RNA)
where:
Base-Base interactions energy: -132.426
where: short stacking energy: -62.455
Base-Backbone interact. energy: -0.050
local terms energy: -79.004013
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -21.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -204.873019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.873019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.873019 (E_RNA)
where:
Base-Base interactions energy: -135.732
where: short stacking energy: -61.966
Base-Backbone interact. energy: -0.281
local terms energy: -68.860205
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -4.792
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: 5, replica: 9
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -182.742572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.742572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.742572 (E_RNA)
where:
Base-Base interactions energy: -112.198
where: short stacking energy: -62.052
Base-Backbone interact. energy: 0.946
local terms energy: -71.491205
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -18.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -154.236726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.236726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.236726 (E_RNA)
where:
Base-Base interactions energy: -95.923
where: short stacking energy: -55.119
Base-Backbone interact. energy: -0.157
local terms energy: -58.156446
where:
bonds (distance) C4'-P energy: -7.703
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -10.617
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: 10
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -100.761575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.761575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.761575 (E_RNA)
where:
Base-Base interactions energy: -41.510
where: short stacking energy: -31.448
Base-Backbone interact. energy: -0.148
local terms energy: -59.103125
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -15.199
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -4.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -142.036117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.036117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.036117 (E_RNA)
where:
Base-Base interactions energy: -84.862
where: short stacking energy: -44.236
Base-Backbone interact. energy: 0.444
local terms energy: -57.617738
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -13.185
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -7.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -86.969146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.969146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.969146 (E_RNA)
where:
Base-Base interactions energy: -42.072
where: short stacking energy: -36.223
Base-Backbone interact. energy: -0.116
local terms energy: -44.781625
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -8.946
flat angles C4'-P-C4' energy: -6.196
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -5.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -87.331716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.331716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.331716 (E_RNA)
where:
Base-Base interactions energy: -31.853
where: short stacking energy: -30.963
Base-Backbone interact. energy: -0.005
local terms energy: -55.474320
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -6.693
tors. eta vs tors. theta energy: -8.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -226.757743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.757743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.757743 (E_RNA)
where:
Base-Base interactions energy: -147.762
where: short stacking energy: -71.146
Base-Backbone interact. energy: -0.097
local terms energy: -78.898408
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -18.651
flat angles P-C4'-P energy: -7.589
tors. eta vs tors. theta energy: -19.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -223.412298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.412298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.412298 (E_RNA)
where:
Base-Base interactions energy: -146.273
where: short stacking energy: -69.572
Base-Backbone interact. energy: -0.001
local terms energy: -77.138479
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -21.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -209.342659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.342659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.342659 (E_RNA)
where:
Base-Base interactions energy: -140.318
where: short stacking energy: -66.399
Base-Backbone interact. energy: 0.850
local terms energy: -69.874483
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -11.286
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -12.837
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: 4, replica: 9
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -173.486403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.486403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.486403 (E_RNA)
where:
Base-Base interactions energy: -103.310
where: short stacking energy: -56.467
Base-Backbone interact. energy: -0.464
local terms energy: -69.712496
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -14.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -201.113531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.113531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.113531 (E_RNA)
where:
Base-Base interactions energy: -132.297
where: short stacking energy: -63.522
Base-Backbone interact. energy: -0.315
local terms energy: -68.501398
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -17.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -153.158228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.158228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.158228 (E_RNA)
where:
Base-Base interactions energy: -92.984
where: short stacking energy: -46.737
Base-Backbone interact. energy: -0.441
local terms energy: -59.733358
where:
bonds (distance) C4'-P energy: -9.541
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -12.087
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -13.988
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: 10
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -89.995631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.995631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.995631 (E_RNA)
where:
Base-Base interactions energy: -40.625
where: short stacking energy: -39.941
Base-Backbone interact. energy: -0.067
local terms energy: -49.302692
where:
bonds (distance) C4'-P energy: -8.409
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -4.270
tors. eta vs tors. theta energy: -5.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -121.436858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.436858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.436858 (E_RNA)
where:
Base-Base interactions energy: -74.246
where: short stacking energy: -41.477
Base-Backbone interact. energy: -0.197
local terms energy: -46.993108
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -8.709
flat angles C4'-P-C4' energy: -9.906
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -5.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -73.112918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.112918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.112918 (E_RNA)
where:
Base-Base interactions energy: -29.458
where: short stacking energy: -28.256
Base-Backbone interact. energy: -0.109
local terms energy: -43.546415
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -5.929
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -2.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -89.890159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.890159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.890159 (E_RNA)
where:
Base-Base interactions energy: -47.416
where: short stacking energy: -23.858
Base-Backbone interact. energy: -0.235
local terms energy: -42.239189
where:
bonds (distance) C4'-P energy: -9.874
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -8.520
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -0.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -223.347647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.347647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.347647 (E_RNA)
where:
Base-Base interactions energy: -143.321
where: short stacking energy: -74.364
Base-Backbone interact. energy: -0.027
local terms energy: -79.999973
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -20.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -218.387742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.387742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.387742 (E_RNA)
where:
Base-Base interactions energy: -141.047
where: short stacking energy: -66.115
Base-Backbone interact. energy: -0.035
local terms energy: -77.306574
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -16.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -210.630998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.630998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.630998 (E_RNA)
where:
Base-Base interactions energy: -135.884
where: short stacking energy: -52.270
Base-Backbone interact. energy: -0.051
local terms energy: -74.695568
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -18.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -160.153652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.153652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.153652 (E_RNA)
where:
Base-Base interactions energy: -97.443
where: short stacking energy: -51.124
Base-Backbone interact. energy: 0.258
local terms energy: -62.968703
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -16.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -207.533095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.533095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.533095 (E_RNA)
where:
Base-Base interactions energy: -132.438
where: short stacking energy: -62.905
Base-Backbone interact. energy: -0.004
local terms energy: -75.091385
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -12.441
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: 6, replica: 1
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -147.816753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.816753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.816753 (E_RNA)
where:
Base-Base interactions energy: -98.334
where: short stacking energy: -55.125
Base-Backbone interact. energy: -0.000
local terms energy: -49.482519
where:
bonds (distance) C4'-P energy: -10.684
bonds (distance) P-C4' energy: -10.660
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -3.608
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: 7, replica: 7
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -131.598766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.598766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.598766 (E_RNA)
where:
Base-Base interactions energy: -78.725
where: short stacking energy: -48.582
Base-Backbone interact. energy: -0.080
local terms energy: -52.793609
where:
bonds (distance) C4'-P energy: -7.781
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -7.981
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: 8, replica: 10
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -79.777557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.777557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.777557 (E_RNA)
where:
Base-Base interactions energy: -26.827
where: short stacking energy: -26.827
Base-Backbone interact. energy: -0.005
local terms energy: -52.945081
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -3.779
tors. eta vs tors. theta energy: -6.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -94.772234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.772234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.772234 (E_RNA)
where:
Base-Base interactions energy: -40.233
where: short stacking energy: -35.486
Base-Backbone interact. energy: -1.467
local terms energy: -53.072608
where:
bonds (distance) C4'-P energy: -18.032
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -9.737
flat angles P-C4'-P energy: -3.048
tors. eta vs tors. theta energy: -6.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -77.446261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.446261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.446261 (E_RNA)
where:
Base-Base interactions energy: -34.524
where: short stacking energy: -34.494
Base-Backbone interact. energy: -0.105
local terms energy: -42.817152
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -6.126
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -3.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -224.459062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.459062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.459062 (E_RNA)
where:
Base-Base interactions energy: -148.759
where: short stacking energy: -70.762
Base-Backbone interact. energy: -0.050
local terms energy: -75.649534
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -20.464
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: 8
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -201.505211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.505211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.505211 (E_RNA)
where:
Base-Base interactions energy: -123.258
where: short stacking energy: -56.267
Base-Backbone interact. energy: -0.472
local terms energy: -77.775520
where:
bonds (distance) C4'-P energy: -17.414
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -18.637
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -16.882
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: 2
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -211.142206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.142206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.142206 (E_RNA)
where:
Base-Base interactions energy: -138.801
where: short stacking energy: -60.119
Base-Backbone interact. energy: -0.064
local terms energy: -72.277437
where:
bonds (distance) C4'-P energy: -14.432
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -19.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -210.043996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.043996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.043996 (E_RNA)
where:
Base-Base interactions energy: -147.914
where: short stacking energy: -67.594
Base-Backbone interact. energy: 0.160
local terms energy: -62.290365
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -8.514
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -16.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -159.121425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.121425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.121425 (E_RNA)
where:
Base-Base interactions energy: -96.003
where: short stacking energy: -47.904
Base-Backbone interact. energy: -1.074
local terms energy: -62.044947
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -7.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -153.029369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.029369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.029369 (E_RNA)
where:
Base-Base interactions energy: -91.402
where: short stacking energy: -37.441
Base-Backbone interact. energy: -1.147
local terms energy: -60.480382
where:
bonds (distance) C4'-P energy: -10.485
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -14.262
tors. eta vs tors. theta energy: -4.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -150.159733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.159733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.159733 (E_RNA)
where:
Base-Base interactions energy: -87.189
where: short stacking energy: -36.170
Base-Backbone interact. energy: -0.121
local terms energy: -62.849449
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -14.509
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -10.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -87.448513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.448513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.448513 (E_RNA)
where:
Base-Base interactions energy: -36.812
where: short stacking energy: -36.812
Base-Backbone interact. energy: -0.108
local terms energy: -50.527901
where:
bonds (distance) C4'-P energy: -9.112
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -10.215
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: 9, replica: 3
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -91.914287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.914287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.914287 (E_RNA)
where:
Base-Base interactions energy: -44.827
where: short stacking energy: -34.402
Base-Backbone interact. energy: -0.417
local terms energy: -46.669673
where:
bonds (distance) C4'-P energy: -4.075
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -4.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -78.142418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.142418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.142418 (E_RNA)
where:
Base-Base interactions energy: -30.701
where: short stacking energy: -24.421
Base-Backbone interact. energy: -0.328
local terms energy: -47.113395
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -11.181
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -3.302
tors. eta vs tors. theta energy: -4.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -222.587683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.587683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.587683 (E_RNA)
where:
Base-Base interactions energy: -150.500
where: short stacking energy: -65.798
Base-Backbone interact. energy: -0.006
local terms energy: -72.082112
where:
bonds (distance) C4'-P energy: -12.060
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -9.289
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: 2, replica: 6
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -217.062104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.062104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.062104 (E_RNA)
where:
Base-Base interactions energy: -137.844
where: short stacking energy: -69.128
Base-Backbone interact. energy: -0.001
local terms energy: -79.217184
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -17.848
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -21.722
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: 5
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -214.787765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.787765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.787765 (E_RNA)
where:
Base-Base interactions energy: -144.272
where: short stacking energy: -61.663
Base-Backbone interact. energy: -0.922
local terms energy: -69.594562
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -6.670
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -19.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -205.634209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.634209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.634209 (E_RNA)
where:
Base-Base interactions energy: -131.589
where: short stacking energy: -60.357
Base-Backbone interact. energy: -0.041
local terms energy: -74.003877
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -18.747
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: 5, replica: 1
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -158.864226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.864226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.864226 (E_RNA)
where:
Base-Base interactions energy: -93.307
where: short stacking energy: -40.212
Base-Backbone interact. energy: -2.498
local terms energy: -63.058914
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -7.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -149.183783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.183783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.183783 (E_RNA)
where:
Base-Base interactions energy: -96.302
where: short stacking energy: -37.232
Base-Backbone interact. energy: -0.275
local terms energy: -52.606484
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -7.930
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -7.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -152.932205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.932205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.932205 (E_RNA)
where:
Base-Base interactions energy: -89.159
where: short stacking energy: -48.549
Base-Backbone interact. energy: -0.007
local terms energy: -63.766281
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -18.876
flat angles P-C4'-P energy: -4.711
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: 8, replica: 10
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -93.264204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.264204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.264204 (E_RNA)
where:
Base-Base interactions energy: -38.114
where: short stacking energy: -37.167
Base-Backbone interact. energy: 0.689
local terms energy: -55.839410
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -11.358
flat angles P-C4'-P energy: -6.816
tors. eta vs tors. theta energy: -7.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -86.804982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.804982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.804982 (E_RNA)
where:
Base-Base interactions energy: -49.060
where: short stacking energy: -31.244
Base-Backbone interact. energy: -0.240
local terms energy: -37.505204
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -9.961
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: 0.042
tors. eta vs tors. theta energy: 1.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -80.135100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.135100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.135100 (E_RNA)
where:
Base-Base interactions energy: -35.482
where: short stacking energy: -27.227
Base-Backbone interact. energy: -0.128
local terms energy: -44.525013
where:
bonds (distance) C4'-P energy: -12.520
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -4.626
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: 8
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -221.973894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.973894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.973894 (E_RNA)
where:
Base-Base interactions energy: -143.826
where: short stacking energy: -64.209
Base-Backbone interact. energy: -0.001
local terms energy: -78.147316
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -13.290
tors. eta vs tors. theta energy: -19.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -224.030141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.030141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.030141 (E_RNA)
where:
Base-Base interactions energy: -141.627
where: short stacking energy: -68.350
Base-Backbone interact. energy: -0.000
local terms energy: -82.403095
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -21.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -214.394565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.394565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.394565 (E_RNA)
where:
Base-Base interactions energy: -137.626
where: short stacking energy: -66.597
Base-Backbone interact. energy: -0.048
local terms energy: -76.720386
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -21.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -208.963887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.963887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.963887 (E_RNA)
where:
Base-Base interactions energy: -140.313
where: short stacking energy: -64.528
Base-Backbone interact. energy: 1.156
local terms energy: -69.806854
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -15.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -161.633664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.633664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.633664 (E_RNA)
where:
Base-Base interactions energy: -97.744
where: short stacking energy: -51.205
Base-Backbone interact. energy: -0.109
local terms energy: -63.780894
where:
bonds (distance) C4'-P energy: -10.298
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -9.512
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: 6, replica: 7
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -171.885978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.885978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.885978 (E_RNA)
where:
Base-Base interactions energy: -110.251
where: short stacking energy: -61.199
Base-Backbone interact. energy: -0.127
local terms energy: -61.507401
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -15.815
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: 7, replica: 9
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -155.337642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.337642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.337642 (E_RNA)
where:
Base-Base interactions energy: -87.839
where: short stacking energy: -53.441
Base-Backbone interact. energy: -0.000
local terms energy: -67.498610
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -17.100
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: 4
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -96.653667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.653667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.653667 (E_RNA)
where:
Base-Base interactions energy: -42.145
where: short stacking energy: -38.684
Base-Backbone interact. energy: -0.102
local terms energy: -54.406569
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -11.029
flat angles C4'-P-C4' energy: -9.545
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -9.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -96.846852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.846852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.846852 (E_RNA)
where:
Base-Base interactions energy: -41.076
where: short stacking energy: -35.040
Base-Backbone interact. energy: -0.011
local terms energy: -55.759938
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -8.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -80.391092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.391092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.391092 (E_RNA)
where:
Base-Base interactions energy: -36.009
where: short stacking energy: -25.164
Base-Backbone interact. energy: -0.146
local terms energy: -44.236526
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -10.880
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: 4.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -209.477361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.477361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.477361 (E_RNA)
where:
Base-Base interactions energy: -138.431
where: short stacking energy: -60.633
Base-Backbone interact. energy: -0.967
local terms energy: -70.078661
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -18.873
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: 5
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -221.137156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.137156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.137156 (E_RNA)
where:
Base-Base interactions energy: -141.930
where: short stacking energy: -71.417
Base-Backbone interact. energy: -0.117
local terms energy: -79.090218
where:
bonds (distance) C4'-P energy: -17.337
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -11.517
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: 3, replica: 2
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -211.334630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.334630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.334630 (E_RNA)
where:
Base-Base interactions energy: -134.314
where: short stacking energy: -69.311
Base-Backbone interact. energy: -0.349
local terms energy: -76.671837
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -9.233
tors. eta vs tors. theta energy: -20.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -204.572561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.572561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.572561 (E_RNA)
where:
Base-Base interactions energy: -135.589
where: short stacking energy: -54.451
Base-Backbone interact. energy: -0.302
local terms energy: -68.681995
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -9.181
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: 5, replica: 7
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -146.476512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.476512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.476512 (E_RNA)
where:
Base-Base interactions energy: -88.997
where: short stacking energy: -47.273
Base-Backbone interact. energy: -0.018
local terms energy: -57.462361
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -11.357
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -8.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -158.804689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.804689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.804689 (E_RNA)
where:
Base-Base interactions energy: -95.136
where: short stacking energy: -50.398
Base-Backbone interact. energy: -0.027
local terms energy: -63.641481
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -10.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -139.360062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.360062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.360062 (E_RNA)
where:
Base-Base interactions energy: -84.171
where: short stacking energy: -41.035
Base-Backbone interact. energy: -0.236
local terms energy: -54.952111
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -11.445
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -5.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -82.565711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.565711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.565711 (E_RNA)
where:
Base-Base interactions energy: -38.653
where: short stacking energy: -27.456
Base-Backbone interact. energy: -0.994
local terms energy: -42.918615
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -9.490
flat angles C4'-P-C4' energy: -9.657
flat angles P-C4'-P energy: -5.749
tors. eta vs tors. theta energy: -2.082
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: 3
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -87.254717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.254717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.254717 (E_RNA)
where:
Base-Base interactions energy: -36.926
where: short stacking energy: -30.106
Base-Backbone interact. energy: 0.316
local terms energy: -50.644417
where:
bonds (distance) C4'-P energy: -8.812
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -11.865
flat angles P-C4'-P energy: -8.214
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: 10, replica: 10
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -85.485767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.485767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.485767 (E_RNA)
where:
Base-Base interactions energy: -37.981
where: short stacking energy: -33.107
Base-Backbone interact. energy: 0.353
local terms energy: -47.857218
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -10.215
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -5.586
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: 1, replica: 8
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -214.760585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.760585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.760585 (E_RNA)
where:
Base-Base interactions energy: -146.669
where: short stacking energy: -61.691
Base-Backbone interact. energy: -1.848
local terms energy: -66.242995
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -2.107
tors. eta vs tors. theta energy: -22.383
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: 5
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -223.469420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.469420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.469420 (E_RNA)
where:
Base-Base interactions energy: -145.898
where: short stacking energy: -72.382
Base-Backbone interact. energy: -0.083
local terms energy: -77.488403
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -14.689
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -19.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -200.087877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.087877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.087877 (E_RNA)
where:
Base-Base interactions energy: -128.186
where: short stacking energy: -64.867
Base-Backbone interact. energy: -0.015
local terms energy: -71.886574
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -19.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -221.888790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.888790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.888790 (E_RNA)
where:
Base-Base interactions energy: -140.147
where: short stacking energy: -70.780
Base-Backbone interact. energy: -0.922
local terms energy: -80.819223
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -18.567
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -20.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -180.630463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.630463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.630463 (E_RNA)
where:
Base-Base interactions energy: -111.403
where: short stacking energy: -57.231
Base-Backbone interact. energy: -0.394
local terms energy: -68.833471
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -14.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -170.543790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.543790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.543790 (E_RNA)
where:
Base-Base interactions energy: -104.389
where: short stacking energy: -55.066
Base-Backbone interact. energy: -0.057
local terms energy: -66.098355
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -6.012
tors. eta vs tors. theta energy: -17.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -153.879335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.879335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.879335 (E_RNA)
where:
Base-Base interactions energy: -91.993
where: short stacking energy: -49.695
Base-Backbone interact. energy: -0.596
local terms energy: -61.290124
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -7.265
tors. eta vs tors. theta energy: -10.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -106.038433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.038433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.038433 (E_RNA)
where:
Base-Base interactions energy: -53.059
where: short stacking energy: -30.195
Base-Backbone interact. energy: -0.340
local terms energy: -52.639779
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: -8.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -78.869484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.869484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.869484 (E_RNA)
where:
Base-Base interactions energy: -31.957
where: short stacking energy: -26.267
Base-Backbone interact. energy: 1.742
local terms energy: -48.654101
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -12.339
flat angles C4'-P-C4' energy: -10.449
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -3.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -79.358869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.358869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.358869 (E_RNA)
where:
Base-Base interactions energy: -35.940
where: short stacking energy: -29.741
Base-Backbone interact. energy: 3.943
local terms energy: -47.362124
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -8.573
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -4.690
tors. eta vs tors. theta energy: -3.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -218.287339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.287339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.287339 (E_RNA)
where:
Base-Base interactions energy: -142.422
where: short stacking energy: -71.241
Base-Backbone interact. energy: -0.076
local terms energy: -75.790207
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -19.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -217.907121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.907121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.907121 (E_RNA)
where:
Base-Base interactions energy: -140.434
where: short stacking energy: -65.528
Base-Backbone interact. energy: -0.036
local terms energy: -77.437366
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -11.842
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: 3, replica: 6
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -214.313177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.313177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.313177 (E_RNA)
where:
Base-Base interactions energy: -141.090
where: short stacking energy: -60.403
Base-Backbone interact. energy: -0.515
local terms energy: -72.709040
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -20.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -198.999431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.999431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.999431 (E_RNA)
where:
Base-Base interactions energy: -127.631
where: short stacking energy: -56.898
Base-Backbone interact. energy: -0.002
local terms energy: -71.366944
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -16.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -172.781525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.781525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.781525 (E_RNA)
where:
Base-Base interactions energy: -105.878
where: short stacking energy: -54.406
Base-Backbone interact. energy: -0.052
local terms energy: -66.851003
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -11.365
flat angles P-C4'-P energy: -8.574
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: 6, replica: 9
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -148.204983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.204983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.204983 (E_RNA)
where:
Base-Base interactions energy: -99.923
where: short stacking energy: -53.390
Base-Backbone interact. energy: -0.146
local terms energy: -48.135765
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -11.826
flat angles C4'-P-C4' energy: -6.055
flat angles P-C4'-P energy: -5.027
tors. eta vs tors. theta energy: -11.910
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: 1
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -163.581501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.581501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.581501 (E_RNA)
where:
Base-Base interactions energy: -105.523
where: short stacking energy: -40.931
Base-Backbone interact. energy: 0.041
local terms energy: -58.100169
where:
bonds (distance) C4'-P energy: -4.759
bonds (distance) P-C4' energy: -16.416
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -10.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -91.929807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.929807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.929807 (E_RNA)
where:
Base-Base interactions energy: -36.840
where: short stacking energy: -34.265
Base-Backbone interact. energy: -0.108
local terms energy: -54.981726
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -1.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -81.120178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.120178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.120178 (E_RNA)
where:
Base-Base interactions energy: -29.022
where: short stacking energy: -27.328
Base-Backbone interact. energy: -0.140
local terms energy: -51.958489
where:
bonds (distance) C4'-P energy: -10.145
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -4.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -66.896565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.896565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.896565 (E_RNA)
where:
Base-Base interactions energy: -22.152
where: short stacking energy: -18.657
Base-Backbone interact. energy: -1.705
local terms energy: -43.039920
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -9.274
flat angles C4'-P-C4' energy: -8.526
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: 0.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -226.073760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.073760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.073760 (E_RNA)
where:
Base-Base interactions energy: -146.013
where: short stacking energy: -73.305
Base-Backbone interact. energy: -0.001
local terms energy: -80.060142
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -23.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -221.271268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.271268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.271268 (E_RNA)
where:
Base-Base interactions energy: -143.576
where: short stacking energy: -58.219
Base-Backbone interact. energy: -0.010
local terms energy: -77.685619
where:
bonds (distance) C4'-P energy: -17.386
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -11.060
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: 3, replica: 6
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -215.139896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.139896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.139896 (E_RNA)
where:
Base-Base interactions energy: -147.494
where: short stacking energy: -63.045
Base-Backbone interact. energy: -0.499
local terms energy: -67.146651
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -15.018
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: 2
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -190.488263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.488263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.488263 (E_RNA)
where:
Base-Base interactions energy: -127.483
where: short stacking energy: -56.538
Base-Backbone interact. energy: -0.512
local terms energy: -62.493257
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -13.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 341
Temperature: 1.100000
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: -107.682
where: short stacking energy: -61.361
Base-Backbone interact. energy: -1.601
local terms energy: -68.833081
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -17.167
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: 9
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -177.908759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.908759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.908759 (E_RNA)
where:
Base-Base interactions energy: -110.421
where: short stacking energy: -60.307
Base-Backbone interact. energy: -0.028
local terms energy: -67.460516
where:
bonds (distance) C4'-P energy: -10.260
bonds (distance) P-C4' energy: -12.049
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -17.911
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: 1
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -150.376160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.376160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.376160 (E_RNA)
where:
Base-Base interactions energy: -90.357
where: short stacking energy: -48.647
Base-Backbone interact. energy: -0.021
local terms energy: -59.998029
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -10.162
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -10.082
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: 8, replica: 3
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -90.579875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.579875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.579875 (E_RNA)
where:
Base-Base interactions energy: -37.135
where: short stacking energy: -34.204
Base-Backbone interact. energy: 0.253
local terms energy: -53.697849
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -5.155
tors. eta vs tors. theta energy: -5.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -84.605422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.605422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.605422 (E_RNA)
where:
Base-Base interactions energy: -32.766
where: short stacking energy: -28.183
Base-Backbone interact. energy: -0.394
local terms energy: -51.444746
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -7.189
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -5.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -78.741969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.741969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.741969 (E_RNA)
where:
Base-Base interactions energy: -26.501
where: short stacking energy: -21.029
Base-Backbone interact. energy: -0.030
local terms energy: -52.210785
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -0.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -229.988158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.988158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.988158 (E_RNA)
where:
Base-Base interactions energy: -143.605
where: short stacking energy: -63.860
Base-Backbone interact. energy: -0.754
local terms energy: -85.629754
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -16.105
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -15.543
tors. eta vs tors. theta energy: -22.179
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: 2, replica: 8
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -211.142253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.142253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.142253 (E_RNA)
where:
Base-Base interactions energy: -139.295
where: short stacking energy: -64.412
Base-Backbone interact. energy: -0.070
local terms energy: -71.777250
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -15.031
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -14.162
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: 3, replica: 2
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -200.362969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.362969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.362969 (E_RNA)
where:
Base-Base interactions energy: -137.704
where: short stacking energy: -55.217
Base-Backbone interact. energy: -0.588
local terms energy: -62.071158
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -11.205
flat angles C4'-P-C4' energy: -18.443
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -12.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -200.125316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.125316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.125316 (E_RNA)
where:
Base-Base interactions energy: -134.520
where: short stacking energy: -47.057
Base-Backbone interact. energy: -0.072
local terms energy: -65.533667
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -9.014
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: 9
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -171.642523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.642523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.642523 (E_RNA)
where:
Base-Base interactions energy: -107.239
where: short stacking energy: -62.961
Base-Backbone interact. energy: -0.036
local terms energy: -64.367807
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -17.737
flat angles P-C4'-P energy: -6.335
tors. eta vs tors. theta energy: -12.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -168.818262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.818262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.818262 (E_RNA)
where:
Base-Base interactions energy: -108.642
where: short stacking energy: -47.487
Base-Backbone interact. energy: -0.697
local terms energy: -59.479115
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -9.871
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -12.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -163.316962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.316962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.316962 (E_RNA)
where:
Base-Base interactions energy: -102.751
where: short stacking energy: -51.103
Base-Backbone interact. energy: -0.226
local terms energy: -60.339853
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -10.326
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -13.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -98.201613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.201613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.201613 (E_RNA)
where:
Base-Base interactions energy: -43.922
where: short stacking energy: -39.000
Base-Backbone interact. energy: -0.096
local terms energy: -54.183136
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -10.592
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -3.335
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: 10
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -83.029332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.029332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.029332 (E_RNA)
where:
Base-Base interactions energy: -38.347
where: short stacking energy: -36.903
Base-Backbone interact. energy: -0.288
local terms energy: -44.395064
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -7.213
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -3.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -87.971958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.971958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.971958 (E_RNA)
where:
Base-Base interactions energy: -32.135
where: short stacking energy: -32.135
Base-Backbone interact. energy: -0.004
local terms energy: -55.832742
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -3.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -223.126415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.126415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.126415 (E_RNA)
where:
Base-Base interactions energy: -139.395
where: short stacking energy: -64.575
Base-Backbone interact. energy: -2.015
local terms energy: -81.716125
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -19.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -206.856149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.856149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.856149 (E_RNA)
where:
Base-Base interactions energy: -140.670
where: short stacking energy: -57.427
Base-Backbone interact. energy: -0.218
local terms energy: -65.967902
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -12.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -192.029387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.029387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.029387 (E_RNA)
where:
Base-Base interactions energy: -123.764
where: short stacking energy: -55.415
Base-Backbone interact. energy: -0.138
local terms energy: -68.127248
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -14.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -209.773124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.773124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.773124 (E_RNA)
where:
Base-Base interactions energy: -145.311
where: short stacking energy: -60.028
Base-Backbone interact. energy: -0.134
local terms energy: -64.328146
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -13.375
flat angles C4'-P-C4' energy: -10.605
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -18.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -178.525015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.525015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.525015 (E_RNA)
where:
Base-Base interactions energy: -106.028
where: short stacking energy: -61.238
Base-Backbone interact. energy: -0.183
local terms energy: -72.314056
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -10.999
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -15.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -154.169346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.169346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.169346 (E_RNA)
where:
Base-Base interactions energy: -94.220
where: short stacking energy: -45.189
Base-Backbone interact. energy: -0.042
local terms energy: -59.906963
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -7.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -145.554010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.554010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.554010 (E_RNA)
where:
Base-Base interactions energy: -98.611
where: short stacking energy: -42.909
Base-Backbone interact. energy: 0.068
local terms energy: -47.010624
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -11.996
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -2.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -86.305642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.305642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.305642 (E_RNA)
where:
Base-Base interactions energy: -31.411
where: short stacking energy: -27.354
Base-Backbone interact. energy: -0.110
local terms energy: -54.784839
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -9.787
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -3.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -73.807058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.807058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.807058 (E_RNA)
where:
Base-Base interactions energy: -31.765
where: short stacking energy: -30.239
Base-Backbone interact. energy: -0.275
local terms energy: -41.766803
where:
bonds (distance) C4'-P energy: -10.414
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -3.751
tors. eta vs tors. theta energy: -3.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -85.713467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.713467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.713467 (E_RNA)
where:
Base-Base interactions energy: -37.298
where: short stacking energy: -37.298
Base-Backbone interact. energy: 0.788
local terms energy: -49.203588
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -11.128
flat angles P-C4'-P energy: -6.232
tors. eta vs tors. theta energy: -4.397
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: 5
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -219.481389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.481389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.481389 (E_RNA)
where:
Base-Base interactions energy: -141.028
where: short stacking energy: -59.511
Base-Backbone interact. energy: -0.304
local terms energy: -78.149917
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -19.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -211.811648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.811648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.811648 (E_RNA)
where:
Base-Base interactions energy: -144.143
where: short stacking energy: -48.828
Base-Backbone interact. energy: -0.474
local terms energy: -67.194885
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -10.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -217.074194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.074194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.074194 (E_RNA)
where:
Base-Base interactions energy: -139.042
where: short stacking energy: -54.336
Base-Backbone interact. energy: -0.137
local terms energy: -77.895815
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -16.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -203.904740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.904740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.904740 (E_RNA)
where:
Base-Base interactions energy: -140.395
where: short stacking energy: -56.762
Base-Backbone interact. energy: -0.116
local terms energy: -63.393725
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -12.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -162.413239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.413239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.413239 (E_RNA)
where:
Base-Base interactions energy: -102.284
where: short stacking energy: -51.131
Base-Backbone interact. energy: -0.726
local terms energy: -59.403444
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -9.780
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -12.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -152.248015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.248015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.248015 (E_RNA)
where:
Base-Base interactions energy: -93.879
where: short stacking energy: -36.364
Base-Backbone interact. energy: -0.198
local terms energy: -58.170370
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -10.659
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -10.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -130.228284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.228284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.228284 (E_RNA)
where:
Base-Base interactions energy: -74.228
where: short stacking energy: -40.408
Base-Backbone interact. energy: -0.096
local terms energy: -55.905079
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -6.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -93.665982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.665982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.665982 (E_RNA)
where:
Base-Base interactions energy: -45.585
where: short stacking energy: -34.153
Base-Backbone interact. energy: -0.092
local terms energy: -47.988411
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -11.372
flat angles C4'-P-C4' energy: -9.435
flat angles P-C4'-P energy: -5.430
tors. eta vs tors. theta energy: -9.280
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: 4
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -89.488904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.488904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.488904 (E_RNA)
where:
Base-Base interactions energy: -35.949
where: short stacking energy: -35.949
Base-Backbone interact. energy: -0.286
local terms energy: -53.254105
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -6.950
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -5.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -83.545293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.545293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.545293 (E_RNA)
where:
Base-Base interactions energy: -35.162
where: short stacking energy: -32.992
Base-Backbone interact. energy: -0.240
local terms energy: -48.143250
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -13.566
flat angles C4'-P-C4' energy: -5.253
flat angles P-C4'-P energy: -6.738
tors. eta vs tors. theta energy: -5.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -232.758294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.758294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.758294 (E_RNA)
where:
Base-Base interactions energy: -148.639
where: short stacking energy: -74.898
Base-Backbone interact. energy: -0.070
local terms energy: -84.050191
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -13.858
tors. eta vs tors. theta energy: -21.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -218.910300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.910300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.910300 (E_RNA)
where:
Base-Base interactions energy: -148.313
where: short stacking energy: -60.693
Base-Backbone interact. energy: -0.782
local terms energy: -69.814842
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -13.942
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -12.105
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: 8
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -216.016337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.016337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.016337 (E_RNA)
where:
Base-Base interactions energy: -139.162
where: short stacking energy: -63.108
Base-Backbone interact. energy: -0.260
local terms energy: -76.594212
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -18.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -212.973754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.973754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.973754 (E_RNA)
where:
Base-Base interactions energy: -138.699
where: short stacking energy: -63.405
Base-Backbone interact. energy: -0.292
local terms energy: -73.982680
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -13.744
tors. eta vs tors. theta energy: -20.469
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: 1
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -152.072656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.072656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.072656 (E_RNA)
where:
Base-Base interactions energy: -91.684
where: short stacking energy: -52.909
Base-Backbone interact. energy: -0.093
local terms energy: -60.295619
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -8.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -147.349881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.349881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.349881 (E_RNA)
where:
Base-Base interactions energy: -93.868
where: short stacking energy: -45.903
Base-Backbone interact. energy: -0.198
local terms energy: -53.283862
where:
bonds (distance) C4'-P energy: -9.848
bonds (distance) P-C4' energy: -12.136
flat angles C4'-P-C4' energy: -9.900
flat angles P-C4'-P energy: -11.212
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: 9
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -153.954955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.954955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.954955 (E_RNA)
where:
Base-Base interactions energy: -93.820
where: short stacking energy: -44.410
Base-Backbone interact. energy: -0.112
local terms energy: -60.022951
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -10.675
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: 4
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -86.539203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.539203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.539203 (E_RNA)
where:
Base-Base interactions energy: -28.198
where: short stacking energy: -28.198
Base-Backbone interact. energy: -0.803
local terms energy: -57.537796
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -10.109
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -4.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -84.751118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.751118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.751118 (E_RNA)
where:
Base-Base interactions energy: -35.170
where: short stacking energy: -27.231
Base-Backbone interact. energy: -0.096
local terms energy: -49.484809
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -4.107
tors. eta vs tors. theta energy: -5.319
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: 10
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -96.274279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.274279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.274279 (E_RNA)
where:
Base-Base interactions energy: -42.857
where: short stacking energy: -30.467
Base-Backbone interact. energy: -0.002
local terms energy: -53.415286
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -2.238
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: 1, replica: 6
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -228.902153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.902153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.902153 (E_RNA)
where:
Base-Base interactions energy: -148.654
where: short stacking energy: -70.039
Base-Backbone interact. energy: -0.001
local terms energy: -80.247476
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -19.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -219.008642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.008642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.008642 (E_RNA)
where:
Base-Base interactions energy: -142.881
where: short stacking energy: -63.299
Base-Backbone interact. energy: -0.767
local terms energy: -75.360581
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -18.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -218.919581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.919581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.919581 (E_RNA)
where:
Base-Base interactions energy: -136.183
where: short stacking energy: -65.599
Base-Backbone interact. energy: -1.628
local terms energy: -81.109059
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -19.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -208.430159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.430159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.430159 (E_RNA)
where:
Base-Base interactions energy: -142.754
where: short stacking energy: -60.711
Base-Backbone interact. energy: 1.292
local terms energy: -66.968513
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -9.280
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -16.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -169.707797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.707797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.707797 (E_RNA)
where:
Base-Base interactions energy: -104.398
where: short stacking energy: -62.458
Base-Backbone interact. energy: -0.303
local terms energy: -65.006794
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -12.347
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -13.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -128.950127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.950127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.950127 (E_RNA)
where:
Base-Base interactions energy: -66.889
where: short stacking energy: -40.665
Base-Backbone interact. energy: -0.065
local terms energy: -61.996024
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -4.258
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: 9
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -167.761494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.761494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.761494 (E_RNA)
where:
Base-Base interactions energy: -107.567
where: short stacking energy: -42.738
Base-Backbone interact. energy: -1.385
local terms energy: -58.809442
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -10.394
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -11.084
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: 8, replica: 4
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -86.754567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.754567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.754567 (E_RNA)
where:
Base-Base interactions energy: -36.969
where: short stacking energy: -34.051
Base-Backbone interact. energy: -0.062
local terms energy: -49.723741
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -10.914
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -7.779
tors. eta vs tors. theta energy: -5.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -93.667398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.667398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.667398 (E_RNA)
where:
Base-Base interactions energy: -33.470
where: short stacking energy: -30.778
Base-Backbone interact. energy: -0.130
local terms energy: -60.066735
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -6.740
tors. eta vs tors. theta energy: -8.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -81.505832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.505832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.505832 (E_RNA)
where:
Base-Base interactions energy: -42.069
where: short stacking energy: -31.564
Base-Backbone interact. energy: -0.226
local terms energy: -39.210905
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -9.791
flat angles C4'-P-C4' energy: -3.876
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -4.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -225.316061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.316061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.316061 (E_RNA)
where:
Base-Base interactions energy: -143.141
where: short stacking energy: -65.112
Base-Backbone interact. energy: -0.072
local terms energy: -82.103342
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -21.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -218.170979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.170979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.170979 (E_RNA)
where:
Base-Base interactions energy: -142.197
where: short stacking energy: -74.447
Base-Backbone interact. energy: -0.071
local terms energy: -75.903461
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -21.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -218.698119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.698119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.698119 (E_RNA)
where:
Base-Base interactions energy: -145.072
where: short stacking energy: -70.087
Base-Backbone interact. energy: -0.106
local terms energy: -73.520139
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -19.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -211.886634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.886634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.886634 (E_RNA)
where:
Base-Base interactions energy: -152.244
where: short stacking energy: -62.495
Base-Backbone interact. energy: -0.051
local terms energy: -59.592040
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -5.593
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -17.786
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: 7
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -165.214123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.214123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.214123 (E_RNA)
where:
Base-Base interactions energy: -107.904
where: short stacking energy: -58.115
Base-Backbone interact. energy: -0.103
local terms energy: -57.207009
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -9.233
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: 6, replica: 9
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -148.435379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.435379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.435379 (E_RNA)
where:
Base-Base interactions energy: -90.130
where: short stacking energy: -44.649
Base-Backbone interact. energy: -0.147
local terms energy: -58.158380
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -10.023
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: 7, replica: 1
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -142.916030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.916030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.916030 (E_RNA)
where:
Base-Base interactions energy: -79.594
where: short stacking energy: -42.983
Base-Backbone interact. energy: -0.157
local terms energy: -63.164803
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -11.963
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: 8, replica: 4
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -93.731686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.731686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.731686 (E_RNA)
where:
Base-Base interactions energy: -35.299
where: short stacking energy: -36.102
Base-Backbone interact. energy: -0.001
local terms energy: -58.431354
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -4.170
tors. eta vs tors. theta energy: -10.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -81.638573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.638573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.638573 (E_RNA)
where:
Base-Base interactions energy: -33.085
where: short stacking energy: -19.665
Base-Backbone interact. energy: -0.089
local terms energy: -48.464930
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -9.834
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -0.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -74.391145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.391145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.391145 (E_RNA)
where:
Base-Base interactions energy: -40.964
where: short stacking energy: -19.135
Base-Backbone interact. energy: 1.249
local terms energy: -34.676000
where:
bonds (distance) C4'-P energy: -7.706
bonds (distance) P-C4' energy: -14.485
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -2.901
tors. eta vs tors. theta energy: 3.951
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: 6
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -225.189113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.189113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.189113 (E_RNA)
where:
Base-Base interactions energy: -151.216
where: short stacking energy: -61.925
Base-Backbone interact. energy: -1.151
local terms energy: -72.821900
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -17.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -220.136563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.136563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.136563 (E_RNA)
where:
Base-Base interactions energy: -144.217
where: short stacking energy: -59.283
Base-Backbone interact. energy: -0.151
local terms energy: -75.769142
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -12.332
flat angles C4'-P-C4' energy: -17.329
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -18.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -224.620951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.620951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.620951 (E_RNA)
where:
Base-Base interactions energy: -152.647
where: short stacking energy: -61.532
Base-Backbone interact. energy: -0.730
local terms energy: -71.243673
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -6.323
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: 5
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -209.190296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.190296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.190296 (E_RNA)
where:
Base-Base interactions energy: -136.698
where: short stacking energy: -69.493
Base-Backbone interact. energy: -0.377
local terms energy: -72.115494
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -10.865
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -18.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -158.684679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.684679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.684679 (E_RNA)
where:
Base-Base interactions energy: -97.317
where: short stacking energy: -47.275
Base-Backbone interact. energy: -0.471
local terms energy: -60.896922
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -4.383
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: 9
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -157.940899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.940899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.940899 (E_RNA)
where:
Base-Base interactions energy: -91.419
where: short stacking energy: -46.957
Base-Backbone interact. energy: -0.732
local terms energy: -65.789864
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -11.529
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: 7, replica: 1
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -155.007149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.007149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.007149 (E_RNA)
where:
Base-Base interactions energy: -91.587
where: short stacking energy: -40.648
Base-Backbone interact. energy: -0.094
local terms energy: -63.326472
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -16.059
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -7.374
tors. eta vs tors. theta energy: -10.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -86.030943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.030943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.030943 (E_RNA)
where:
Base-Base interactions energy: -32.804
where: short stacking energy: -32.804
Base-Backbone interact. energy: 0.701
local terms energy: -53.928302
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -10.862
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -4.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -82.705181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.705181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.705181 (E_RNA)
where:
Base-Base interactions energy: -33.993
where: short stacking energy: -29.661
Base-Backbone interact. energy: -0.144
local terms energy: -48.568617
where:
bonds (distance) C4'-P energy: -9.428
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -2.664
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: 10, replica: 10
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -80.134095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.134095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.134095 (E_RNA)
where:
Base-Base interactions energy: -38.183
where: short stacking energy: -28.386
Base-Backbone interact. energy: 0.615
local terms energy: -42.566376
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -7.741
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -5.035
tors. eta vs tors. theta energy: -0.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -223.513701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.513701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.513701 (E_RNA)
where:
Base-Base interactions energy: -151.788
where: short stacking energy: -71.322
Base-Backbone interact. energy: -0.015
local terms energy: -71.710939
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -20.880
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: 8
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -215.365591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.365591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.365591 (E_RNA)
where:
Base-Base interactions energy: -143.983
where: short stacking energy: -54.987
Base-Backbone interact. energy: -0.451
local terms energy: -70.931527
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -10.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -212.344432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.344432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.344432 (E_RNA)
where:
Base-Base interactions energy: -142.765
where: short stacking energy: -62.611
Base-Backbone interact. energy: -0.820
local terms energy: -68.759696
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -5.752
tors. eta vs tors. theta energy: -17.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -216.698557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.698557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.698557 (E_RNA)
where:
Base-Base interactions energy: -145.782
where: short stacking energy: -59.859
Base-Backbone interact. energy: -1.367
local terms energy: -69.549808
where:
bonds (distance) C4'-P energy: -11.011
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -11.493
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -20.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -162.408494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.408494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.408494 (E_RNA)
where:
Base-Base interactions energy: -96.383
where: short stacking energy: -50.936
Base-Backbone interact. energy: -0.055
local terms energy: -65.970244
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -8.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -152.614428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.614428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.614428 (E_RNA)
where:
Base-Base interactions energy: -87.764
where: short stacking energy: -38.971
Base-Backbone interact. energy: -0.216
local terms energy: -64.633743
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -10.691
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -12.277
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: 7, replica: 9
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -158.961362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.961362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.961362 (E_RNA)
where:
Base-Base interactions energy: -94.316
where: short stacking energy: -49.110
Base-Backbone interact. energy: -0.149
local terms energy: -64.496655
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -13.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -81.821741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.821741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.821741 (E_RNA)
where:
Base-Base interactions energy: -29.596
where: short stacking energy: -28.835
Base-Backbone interact. energy: -0.126
local terms energy: -52.100214
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -0.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -70.310830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.310830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.310830 (E_RNA)
where:
Base-Base interactions energy: -25.888
where: short stacking energy: -21.490
Base-Backbone interact. energy: -0.091
local terms energy: -44.332403
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -12.548
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -6.365
tors. eta vs tors. theta energy: 0.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -91.806974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.806974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.806974 (E_RNA)
where:
Base-Base interactions energy: -34.290
where: short stacking energy: -31.151
Base-Backbone interact. energy: 0.410
local terms energy: -57.926589
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -6.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -221.677064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.677064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.677064 (E_RNA)
where:
Base-Base interactions energy: -151.731
where: short stacking energy: -55.429
Base-Backbone interact. energy: -0.124
local terms energy: -69.822385
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -11.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -222.467498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.467498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.467498 (E_RNA)
where:
Base-Base interactions energy: -147.412
where: short stacking energy: -53.655
Base-Backbone interact. energy: 0.536
local terms energy: -75.592265
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -17.179
flat angles P-C4'-P energy: -14.254
tors. eta vs tors. theta energy: -15.933
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: 5
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -219.286506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.286506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.286506 (E_RNA)
where:
Base-Base interactions energy: -144.667
where: short stacking energy: -64.554
Base-Backbone interact. energy: -0.190
local terms energy: -74.429254
where:
bonds (distance) C4'-P energy: -13.861
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -7.343
tors. eta vs tors. theta energy: -23.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -210.534552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.534552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.534552 (E_RNA)
where:
Base-Base interactions energy: -142.114
where: short stacking energy: -57.366
Base-Backbone interact. energy: -0.103
local terms energy: -68.317896
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -13.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -180.782667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.782667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.782667 (E_RNA)
where:
Base-Base interactions energy: -112.121
where: short stacking energy: -56.621
Base-Backbone interact. energy: -0.059
local terms energy: -68.603034
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -15.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -149.003782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.003782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.003782 (E_RNA)
where:
Base-Base interactions energy: -82.949
where: short stacking energy: -47.619
Base-Backbone interact. energy: 0.229
local terms energy: -66.283166
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -11.191
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -11.475
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: 7, replica: 9
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -142.545791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.545791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.545791 (E_RNA)
where:
Base-Base interactions energy: -80.285
where: short stacking energy: -40.190
Base-Backbone interact. energy: -0.146
local terms energy: -62.114097
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -7.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -84.913375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.913375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.913375 (E_RNA)
where:
Base-Base interactions energy: -34.031
where: short stacking energy: -31.682
Base-Backbone interact. energy: -0.093
local terms energy: -50.788610
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -7.772
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -6.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -81.880325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.880325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.880325 (E_RNA)
where:
Base-Base interactions energy: -30.943
where: short stacking energy: -30.943
Base-Backbone interact. energy: 0.052
local terms energy: -50.989317
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -10.377
flat angles P-C4'-P energy: -6.844
tors. eta vs tors. theta energy: -5.388
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: 10, replica: 4
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -80.830572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.830572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.830572 (E_RNA)
where:
Base-Base interactions energy: -30.450
where: short stacking energy: -29.982
Base-Backbone interact. energy: -0.058
local terms energy: -50.322530
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -10.339
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -2.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -217.364320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.364320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.364320 (E_RNA)
where:
Base-Base interactions energy: -143.412
where: short stacking energy: -52.724
Base-Backbone interact. energy: -0.097
local terms energy: -73.854775
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -18.940
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -13.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -227.059526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.059526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.059526 (E_RNA)
where:
Base-Base interactions energy: -146.163
where: short stacking energy: -68.545
Base-Backbone interact. energy: -0.003
local terms energy: -80.894032
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -12.987
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -20.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -216.608874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.608874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.608874 (E_RNA)
where:
Base-Base interactions energy: -142.587
where: short stacking energy: -47.022
Base-Backbone interact. energy: -2.305
local terms energy: -71.716664
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -17.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -217.833676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.833676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.833676 (E_RNA)
where:
Base-Base interactions energy: -148.463
where: short stacking energy: -51.661
Base-Backbone interact. energy: -0.019
local terms energy: -69.352488
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -6.232
tors. eta vs tors. theta energy: -16.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -165.627633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.627633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.627633 (E_RNA)
where:
Base-Base interactions energy: -103.914
where: short stacking energy: -46.855
Base-Backbone interact. energy: -0.091
local terms energy: -61.622439
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: -11.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -156.493485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.493485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.493485 (E_RNA)
where:
Base-Base interactions energy: -97.819
where: short stacking energy: -51.301
Base-Backbone interact. energy: -0.205
local terms energy: -58.469138
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -6.269
tors. eta vs tors. theta energy: -10.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -167.905090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.905090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.905090 (E_RNA)
where:
Base-Base interactions energy: -104.385
where: short stacking energy: -50.807
Base-Backbone interact. energy: -0.220
local terms energy: -63.300179
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -11.899
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: 8, replica: 3
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -81.224522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.224522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.224522 (E_RNA)
where:
Base-Base interactions energy: -26.204
where: short stacking energy: -26.204
Base-Backbone interact. energy: -0.071
local terms energy: -54.949757
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -4.709
tors. eta vs tors. theta energy: -5.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -79.919238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.919238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.919238 (E_RNA)
where:
Base-Base interactions energy: -25.454
where: short stacking energy: -25.454
Base-Backbone interact. energy: -0.118
local terms energy: -54.347025
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -1.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -79.748360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.748360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.748360 (E_RNA)
where:
Base-Base interactions energy: -36.344
where: short stacking energy: -11.537
Base-Backbone interact. energy: -0.348
local terms energy: -43.056181
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: 5.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -217.088510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.088510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.088510 (E_RNA)
where:
Base-Base interactions energy: -147.547
where: short stacking energy: -67.469
Base-Backbone interact. energy: -0.055
local terms energy: -69.486651
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -19.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -215.482266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.482266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.482266 (E_RNA)
where:
Base-Base interactions energy: -141.604
where: short stacking energy: -54.493
Base-Backbone interact. energy: -0.107
local terms energy: -73.771100
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -14.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -216.981101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.981101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.981101 (E_RNA)
where:
Base-Base interactions energy: -138.692
where: short stacking energy: -66.418
Base-Backbone interact. energy: -0.784
local terms energy: -77.505028
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -21.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -204.817998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.817998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.817998 (E_RNA)
where:
Base-Base interactions energy: -136.282
where: short stacking energy: -56.628
Base-Backbone interact. energy: 1.776
local terms energy: -70.312707
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -16.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -158.959416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.959416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.959416 (E_RNA)
where:
Base-Base interactions energy: -94.204
where: short stacking energy: -43.234
Base-Backbone interact. energy: -0.170
local terms energy: -64.585535
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -8.823
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: 9
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -146.808331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.808331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.808331 (E_RNA)
where:
Base-Base interactions energy: -93.754
where: short stacking energy: -42.759
Base-Backbone interact. energy: -1.247
local terms energy: -51.807221
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -2.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -106.987514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.987514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.987514 (E_RNA)
where:
Base-Base interactions energy: -37.663
where: short stacking energy: -37.616
Base-Backbone interact. energy: -0.644
local terms energy: -68.679976
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -11.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -145.068315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.068315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.068315 (E_RNA)
where:
Base-Base interactions energy: -89.581
where: short stacking energy: -39.644
Base-Backbone interact. energy: -1.095
local terms energy: -54.391960
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -14.136
flat angles C4'-P-C4' energy: -10.677
flat angles P-C4'-P energy: -9.530
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: 9, replica: 4
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -94.810356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.810356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.810356 (E_RNA)
where:
Base-Base interactions energy: -46.658
where: short stacking energy: -22.568
Base-Backbone interact. energy: -0.146
local terms energy: -48.006392
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: 1.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -85.157382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.157382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.157382 (E_RNA)
where:
Base-Base interactions energy: -45.739
where: short stacking energy: -27.190
Base-Backbone interact. energy: -0.486
local terms energy: -38.933067
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -4.848
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: 0.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -230.765808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.765808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.765808 (E_RNA)
where:
Base-Base interactions energy: -150.720
where: short stacking energy: -71.584
Base-Backbone interact. energy: -1.735
local terms energy: -78.311547
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -11.709
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: 2, replica: 2
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -220.462075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.462075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.462075 (E_RNA)
where:
Base-Base interactions energy: -146.833
where: short stacking energy: -66.003
Base-Backbone interact. energy: -0.212
local terms energy: -73.417155
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -17.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -220.807817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.807817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.807817 (E_RNA)
where:
Base-Base interactions energy: -139.722
where: short stacking energy: -56.713
Base-Backbone interact. energy: -1.949
local terms energy: -79.137254
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -18.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -210.870623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.870623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.870623 (E_RNA)
where:
Base-Base interactions energy: -141.079
where: short stacking energy: -64.388
Base-Backbone interact. energy: -0.057
local terms energy: -69.734366
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -8.297
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: 5, replica: 7
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -161.253069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.253069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.253069 (E_RNA)
where:
Base-Base interactions energy: -100.251
where: short stacking energy: -55.584
Base-Backbone interact. energy: 1.224
local terms energy: -62.225231
where:
bonds (distance) C4'-P energy: -10.104
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -16.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -143.219923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.219923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.219923 (E_RNA)
where:
Base-Base interactions energy: -80.981
where: short stacking energy: -43.160
Base-Backbone interact. energy: 0.719
local terms energy: -62.958129
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -12.110
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: 7, replica: 3
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -91.001692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.001692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.001692 (E_RNA)
where:
Base-Base interactions energy: -34.111
where: short stacking energy: -28.499
Base-Backbone interact. energy: -0.805
local terms energy: -56.085284
where:
bonds (distance) C4'-P energy: -16.505
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -1.022
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: 4
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -81.930244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.930244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.930244 (E_RNA)
where:
Base-Base interactions energy: -26.042
where: short stacking energy: -23.448
Base-Backbone interact. energy: -0.303
local terms energy: -55.584735
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -2.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -127.715858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.715858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.715858 (E_RNA)
where:
Base-Base interactions energy: -74.282
where: short stacking energy: -35.812
Base-Backbone interact. energy: -0.111
local terms energy: -53.322615
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -9.179
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -8.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -94.204636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.204636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.204636 (E_RNA)
where:
Base-Base interactions energy: -50.262
where: short stacking energy: -24.939
Base-Backbone interact. energy: -1.155
local terms energy: -42.787805
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -8.539
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: 1.441
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: 8
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -227.471686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.471686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.471686 (E_RNA)
where:
Base-Base interactions energy: -145.763
where: short stacking energy: -64.565
Base-Backbone interact. energy: -0.013
local terms energy: -81.695117
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -20.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -215.696757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.696757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.696757 (E_RNA)
where:
Base-Base interactions energy: -141.411
where: short stacking energy: -63.141
Base-Backbone interact. energy: -0.042
local terms energy: -74.243210
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -17.359
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: 3, replica: 6
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -218.252336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.252336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.252336 (E_RNA)
where:
Base-Base interactions energy: -138.629
where: short stacking energy: -71.404
Base-Backbone interact. energy: -0.459
local terms energy: -79.164268
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -20.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -207.189667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.189667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.189667 (E_RNA)
where:
Base-Base interactions energy: -138.656
where: short stacking energy: -63.993
Base-Backbone interact. energy: -0.337
local terms energy: -68.196012
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -12.506
flat angles C4'-P-C4' energy: -16.841
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -16.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -155.342333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.342333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.342333 (E_RNA)
where:
Base-Base interactions energy: -101.830
where: short stacking energy: -30.317
Base-Backbone interact. energy: -0.371
local terms energy: -53.141402
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -10.477
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -3.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -154.252288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.252288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.252288 (E_RNA)
where:
Base-Base interactions energy: -97.594
where: short stacking energy: -45.817
Base-Backbone interact. energy: -0.079
local terms energy: -56.579721
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -6.417
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: 7, replica: 4
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -99.716791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.716791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.716791 (E_RNA)
where:
Base-Base interactions energy: -42.438
where: short stacking energy: -42.438
Base-Backbone interact. energy: -0.002
local terms energy: -57.277027
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -8.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -90.205523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.205523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.205523 (E_RNA)
where:
Base-Base interactions energy: -31.628
where: short stacking energy: -28.846
Base-Backbone interact. energy: -0.038
local terms energy: -58.538806
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -5.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -86.004976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.004976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.004976 (E_RNA)
where:
Base-Base interactions energy: -39.814
where: short stacking energy: -31.235
Base-Backbone interact. energy: -0.312
local terms energy: -45.878678
where:
bonds (distance) C4'-P energy: -3.889
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -12.107
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -5.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -91.218499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.218499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.218499 (E_RNA)
where:
Base-Base interactions energy: -39.674
where: short stacking energy: -30.668
Base-Backbone interact. energy: -0.753
local terms energy: -50.791876
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -6.300
tors. eta vs tors. theta energy: -1.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -228.716783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.716783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.716783 (E_RNA)
where:
Base-Base interactions energy: -148.173
where: short stacking energy: -72.463
Base-Backbone interact. energy: -0.025
local terms energy: -80.518762
where:
bonds (distance) C4'-P energy: -18.395
bonds (distance) P-C4' energy: -14.133
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -22.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -223.749770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.749770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.749770 (E_RNA)
where:
Base-Base interactions energy: -146.086
where: short stacking energy: -62.861
Base-Backbone interact. energy: -0.014
local terms energy: -77.649991
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -19.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -213.575253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.575253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.575253 (E_RNA)
where:
Base-Base interactions energy: -140.896
where: short stacking energy: -71.186
Base-Backbone interact. energy: -0.684
local terms energy: -71.995057
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -19.602
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: 5
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -221.870823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.870823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.870823 (E_RNA)
where:
Base-Base interactions energy: -144.890
where: short stacking energy: -69.182
Base-Backbone interact. energy: -0.141
local terms energy: -76.839521
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -20.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -147.123739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.123739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.123739 (E_RNA)
where:
Base-Base interactions energy: -89.422
where: short stacking energy: -47.614
Base-Backbone interact. energy: -0.004
local terms energy: -57.697507
where:
bonds (distance) C4'-P energy: -9.118
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -10.304
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: 7
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -148.621238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.621238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.621238 (E_RNA)
where:
Base-Base interactions energy: -84.063
where: short stacking energy: -39.699
Base-Backbone interact. energy: -0.267
local terms energy: -64.290778
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -6.850
tors. eta vs tors. theta energy: -10.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -91.534737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.534737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.534737 (E_RNA)
where:
Base-Base interactions energy: -35.982
where: short stacking energy: -35.982
Base-Backbone interact. energy: -0.018
local terms energy: -55.535333
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -3.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -86.867547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.867547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.867547 (E_RNA)
where:
Base-Base interactions energy: -40.023
where: short stacking energy: -37.331
Base-Backbone interact. energy: 0.468
local terms energy: -47.312887
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -10.981
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -6.531
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: 9, replica: 3
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -75.470628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.470628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.470628 (E_RNA)
where:
Base-Base interactions energy: -26.788
where: short stacking energy: -26.788
Base-Backbone interact. energy: -1.650
local terms energy: -47.032665
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -5.460
tors. eta vs tors. theta energy: -1.022
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: 10, replica: 1
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -86.188469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.188469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.188469 (E_RNA)
where:
Base-Base interactions energy: -38.984
where: short stacking energy: -28.800
Base-Backbone interact. energy: -0.322
local terms energy: -46.882806
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -10.519
flat angles C4'-P-C4' energy: -9.503
flat angles P-C4'-P energy: -6.467
tors. eta vs tors. theta energy: -6.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -230.196352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.196352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.196352 (E_RNA)
where:
Base-Base interactions energy: -144.048
where: short stacking energy: -67.418
Base-Backbone interact. energy: -0.001
local terms energy: -86.147704
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -18.937
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: -22.547
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: 2, replica: 8
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -225.495451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.495451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.495451 (E_RNA)
where:
Base-Base interactions energy: -151.770
where: short stacking energy: -74.854
Base-Backbone interact. energy: -0.032
local terms energy: -73.693992
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -10.443
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: 3, replica: 5
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -210.970973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.970973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.970973 (E_RNA)
where:
Base-Base interactions energy: -138.052
where: short stacking energy: -55.764
Base-Backbone interact. energy: -0.184
local terms energy: -72.735188
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -12.610
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: 2
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -220.219877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.219877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.219877 (E_RNA)
where:
Base-Base interactions energy: -142.395
where: short stacking energy: -69.548
Base-Backbone interact. energy: -0.026
local terms energy: -77.799048
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -20.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -146.429298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.429298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.429298 (E_RNA)
where:
Base-Base interactions energy: -83.533
where: short stacking energy: -41.719
Base-Backbone interact. energy: -0.087
local terms energy: -62.809842
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -13.110
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: 9
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -141.617525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.617525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.617525 (E_RNA)
where:
Base-Base interactions energy: -86.499
where: short stacking energy: -42.231
Base-Backbone interact. energy: -0.736
local terms energy: -54.382559
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -7.936
flat angles C4'-P-C4' energy: -10.324
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -9.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -91.746439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.746439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.746439 (E_RNA)
where:
Base-Base interactions energy: -35.530
where: short stacking energy: -29.086
Base-Backbone interact. energy: -0.638
local terms energy: -55.578173
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -6.734
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -5.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -94.328591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.328591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.328591 (E_RNA)
where:
Base-Base interactions energy: -48.479
where: short stacking energy: -32.617
Base-Backbone interact. energy: -0.539
local terms energy: -45.309660
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -9.642
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: 1.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -78.289703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.289703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.289703 (E_RNA)
where:
Base-Base interactions energy: -30.432
where: short stacking energy: -19.667
Base-Backbone interact. energy: 0.440
local terms energy: -48.296793
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: 4.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -80.470397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.470397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.470397 (E_RNA)
where:
Base-Base interactions energy: -30.844
where: short stacking energy: -30.844
Base-Backbone interact. energy: -0.051
local terms energy: -49.575447
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -5.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -222.739647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.739647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.739647 (E_RNA)
where:
Base-Base interactions energy: -146.459
where: short stacking energy: -68.488
Base-Backbone interact. energy: -0.000
local terms energy: -76.280959
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -23.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -217.654318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.654318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.654318 (E_RNA)
where:
Base-Base interactions energy: -143.179
where: short stacking energy: -62.375
Base-Backbone interact. energy: -0.189
local terms energy: -74.286960
where:
bonds (distance) C4'-P energy: -17.298
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -17.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -196.312090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.312090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.312090 (E_RNA)
where:
Base-Base interactions energy: -125.885
where: short stacking energy: -53.775
Base-Backbone interact. energy: 0.184
local terms energy: -70.610635
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -12.056
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: 4, replica: 2
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -218.513171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.513171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.513171 (E_RNA)
where:
Base-Base interactions energy: -147.931
where: short stacking energy: -69.755
Base-Backbone interact. energy: -0.008
local terms energy: -70.573764
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -18.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -163.330403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.330403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.330403 (E_RNA)
where:
Base-Base interactions energy: -100.009
where: short stacking energy: -52.032
Base-Backbone interact. energy: -0.110
local terms energy: -63.211435
where:
bonds (distance) C4'-P energy: -5.279
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -15.722
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: 9
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -151.298543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.298543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.298543 (E_RNA)
where:
Base-Base interactions energy: -86.363
where: short stacking energy: -40.277
Base-Backbone interact. energy: -0.181
local terms energy: -64.754477
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -8.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -90.473762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.473762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.473762 (E_RNA)
where:
Base-Base interactions energy: -36.010
where: short stacking energy: -33.697
Base-Backbone interact. energy: -0.165
local terms energy: -54.298495
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -9.487
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -5.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -82.166171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.166171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.166171 (E_RNA)
where:
Base-Base interactions energy: -40.187
where: short stacking energy: -27.776
Base-Backbone interact. energy: 1.425
local terms energy: -43.404638
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -14.025
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -6.425
tors. eta vs tors. theta energy: 2.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -77.197649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.197649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.197649 (E_RNA)
where:
Base-Base interactions energy: -22.080
where: short stacking energy: -22.880
Base-Backbone interact. energy: -0.099
local terms energy: -55.017804
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -5.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -83.669954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.669954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.669954 (E_RNA)
where:
Base-Base interactions energy: -29.029
where: short stacking energy: -28.707
Base-Backbone interact. energy: -0.298
local terms energy: -54.342827
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -5.482
tors. eta vs tors. theta energy: -5.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -215.017369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.017369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.017369 (E_RNA)
where:
Base-Base interactions energy: -145.245
where: short stacking energy: -62.129
Base-Backbone interact. energy: -0.335
local terms energy: -69.437086
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -8.418
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: 6
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -221.049105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.049105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.049105 (E_RNA)
where:
Base-Base interactions energy: -140.897
where: short stacking energy: -68.459
Base-Backbone interact. energy: -0.019
local terms energy: -80.132842
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -21.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -215.917440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.917440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.917440 (E_RNA)
where:
Base-Base interactions energy: -140.728
where: short stacking energy: -62.193
Base-Backbone interact. energy: -1.274
local terms energy: -73.915324
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -12.316
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -21.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -204.934733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.934733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.934733 (E_RNA)
where:
Base-Base interactions energy: -137.179
where: short stacking energy: -61.707
Base-Backbone interact. energy: -0.002
local terms energy: -67.753743
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -7.031
tors. eta vs tors. theta energy: -18.079
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: 358
Temperature: 1.100000
Total energy: -161.794109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.794109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.794109 (E_RNA)
where:
Base-Base interactions energy: -94.070
where: short stacking energy: -52.139
Base-Backbone interact. energy: -0.435
local terms energy: -67.288739
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -15.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -156.846635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.846635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.846635 (E_RNA)
where:
Base-Base interactions energy: -95.290
where: short stacking energy: -44.127
Base-Backbone interact. energy: -0.243
local terms energy: -61.313199
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -4.919
tors. eta vs tors. theta energy: -10.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -96.801921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.801921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.801921 (E_RNA)
where:
Base-Base interactions energy: -50.122
where: short stacking energy: -29.883
Base-Backbone interact. energy: -0.312
local terms energy: -46.368568
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -10.606
flat angles C4'-P-C4' energy: -8.671
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -3.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -96.502415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.502415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.502415 (E_RNA)
where:
Base-Base interactions energy: -44.641
where: short stacking energy: -23.475
Base-Backbone interact. energy: -0.215
local terms energy: -51.646158
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -6.186
tors. eta vs tors. theta energy: -3.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -80.947437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.947437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.947437 (E_RNA)
where:
Base-Base interactions energy: -38.741
where: short stacking energy: -28.954
Base-Backbone interact. energy: -0.203
local terms energy: -42.003261
where:
bonds (distance) C4'-P energy: -7.354
bonds (distance) P-C4' energy: -9.796
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: -2.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -90.989721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.989721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.989721 (E_RNA)
where:
Base-Base interactions energy: -39.373
where: short stacking energy: -26.755
Base-Backbone interact. energy: 0.430
local terms energy: -52.047062
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -11.704
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: -1.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -212.703645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.703645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.703645 (E_RNA)
where:
Base-Base interactions energy: -141.351
where: short stacking energy: -58.498
Base-Backbone interact. energy: -0.331
local terms energy: -71.021253
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -14.820
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -10.287
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: 2, replica: 6
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -216.031168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.031168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.031168 (E_RNA)
where:
Base-Base interactions energy: -144.311
where: short stacking energy: -55.000
Base-Backbone interact. energy: -0.548
local terms energy: -71.172516
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -17.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -213.518390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.518390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.518390 (E_RNA)
where:
Base-Base interactions energy: -138.228
where: short stacking energy: -56.440
Base-Backbone interact. energy: -0.763
local terms energy: -74.527286
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -10.794
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: 4, replica: 8
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -203.347675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.347675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.347675 (E_RNA)
where:
Base-Base interactions energy: -134.707
where: short stacking energy: -52.160
Base-Backbone interact. energy: -0.020
local terms energy: -68.620656
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -16.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -146.698140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.698140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.698140 (E_RNA)
where:
Base-Base interactions energy: -83.344
where: short stacking energy: -48.061
Base-Backbone interact. energy: -0.506
local terms energy: -62.847419
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -14.354
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: -9.800
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: 6, replica: 9
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -138.168967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.168967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.168967 (E_RNA)
where:
Base-Base interactions energy: -86.200
where: short stacking energy: -46.570
Base-Backbone interact. energy: -0.077
local terms energy: -51.892115
where:
bonds (distance) C4'-P energy: -9.027
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -9.811
flat angles P-C4'-P energy: -7.976
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: 7, replica: 1
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -90.757382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.757382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.757382 (E_RNA)
where:
Base-Base interactions energy: -35.192
where: short stacking energy: -35.192
Base-Backbone interact. energy: -0.133
local terms energy: -55.432813
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -13.428
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -1.394
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: 359
Temperature: 1.250000
Total energy: -82.923097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.923097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.923097 (E_RNA)
where:
Base-Base interactions energy: -29.903
where: short stacking energy: -29.903
Base-Backbone interact. energy: -0.361
local terms energy: -52.658979
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -9.851
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -5.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -85.642614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.642614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.642614 (E_RNA)
where:
Base-Base interactions energy: -34.886
where: short stacking energy: -26.130
Base-Backbone interact. energy: -0.088
local terms energy: -50.669250
where:
bonds (distance) C4'-P energy: -10.491
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: -5.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -80.561234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.561234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.561234 (E_RNA)
where:
Base-Base interactions energy: -33.886
where: short stacking energy: -30.697
Base-Backbone interact. energy: -0.177
local terms energy: -46.497928
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -8.742
flat angles P-C4'-P energy: -4.010
tors. eta vs tors. theta energy: -6.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -218.778882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.778882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.778882 (E_RNA)
where:
Base-Base interactions energy: -152.148
where: short stacking energy: -55.040
Base-Backbone interact. energy: -0.083
local terms energy: -66.547943
where:
bonds (distance) C4'-P energy: -12.147
bonds (distance) P-C4' energy: -11.385
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -14.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -216.720295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.720295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.720295 (E_RNA)
where:
Base-Base interactions energy: -142.818
where: short stacking energy: -69.128
Base-Backbone interact. energy: -0.486
local terms energy: -73.416344
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -19.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -200.757554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.757554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.757554 (E_RNA)
where:
Base-Base interactions energy: -134.442
where: short stacking energy: -65.089
Base-Backbone interact. energy: -0.041
local terms energy: -66.274063
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -16.832
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: 4, replica: 2
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -205.471204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.471204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.471204 (E_RNA)
where:
Base-Base interactions energy: -138.699
where: short stacking energy: -51.363
Base-Backbone interact. energy: -0.518
local terms energy: -66.253957
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -12.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -159.064728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.064728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.064728 (E_RNA)
where:
Base-Base interactions energy: -91.931
where: short stacking energy: -42.314
Base-Backbone interact. energy: -0.079
local terms energy: -67.054453
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -5.576
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: 6, replica: 9
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -148.930239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.930239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.930239 (E_RNA)
where:
Base-Base interactions energy: -86.906
where: short stacking energy: -54.194
Base-Backbone interact. energy: -0.057
local terms energy: -61.968198
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -14.288
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -11.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -101.806199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.806199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.806199 (E_RNA)
where:
Base-Base interactions energy: -44.284
where: short stacking energy: -37.396
Base-Backbone interact. energy: -0.078
local terms energy: -57.444087
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -11.554
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -12.479
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: 8, replica: 1
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -85.087936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.087936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.087936 (E_RNA)
where:
Base-Base interactions energy: -39.163
where: short stacking energy: -39.163
Base-Backbone interact. energy: -0.062
local terms energy: -45.863616
where:
bonds (distance) C4'-P energy: -9.247
bonds (distance) P-C4' energy: -12.099
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -5.543
tors. eta vs tors. theta energy: -4.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -89.117170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.117170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.117170 (E_RNA)
where:
Base-Base interactions energy: -33.699
where: short stacking energy: -27.074
Base-Backbone interact. energy: -0.577
local terms energy: -54.840795
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -3.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -73.619019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.619019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.619019 (E_RNA)
where:
Base-Base interactions energy: -25.410
where: short stacking energy: -21.738
Base-Backbone interact. energy: -0.405
local terms energy: -47.804081
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -10.154
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -0.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -226.732292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.732292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.732292 (E_RNA)
where:
Base-Base interactions energy: -146.013
where: short stacking energy: -79.570
Base-Backbone interact. energy: -0.156
local terms energy: -80.563492
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -12.554
tors. eta vs tors. theta energy: -19.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -228.076367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.076367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.076367 (E_RNA)
where:
Base-Base interactions energy: -149.319
where: short stacking energy: -69.745
Base-Backbone interact. energy: -0.030
local terms energy: -78.727350
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -19.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -200.189909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.189909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.189909 (E_RNA)
where:
Base-Base interactions energy: -138.303
where: short stacking energy: -65.160
Base-Backbone interact. energy: -0.110
local terms energy: -61.777016
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -11.366
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -12.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -203.853175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.853175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.853175 (E_RNA)
where:
Base-Base interactions energy: -134.838
where: short stacking energy: -49.682
Base-Backbone interact. energy: -0.041
local terms energy: -68.974461
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -10.457
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: 5, replica: 7
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -170.090625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.090625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.090625 (E_RNA)
where:
Base-Base interactions energy: -102.949
where: short stacking energy: -44.174
Base-Backbone interact. energy: -0.053
local terms energy: -67.088890
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -15.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -144.723718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.723718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.723718 (E_RNA)
where:
Base-Base interactions energy: -81.592
where: short stacking energy: -45.572
Base-Backbone interact. energy: -2.516
local terms energy: -60.615692
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -9.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -97.740194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.740194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.740194 (E_RNA)
where:
Base-Base interactions energy: -38.709
where: short stacking energy: -34.789
Base-Backbone interact. energy: -0.285
local terms energy: -58.745998
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -12.214
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -6.982
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: 4
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -83.866845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.866845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.866845 (E_RNA)
where:
Base-Base interactions energy: -31.936
where: short stacking energy: -29.304
Base-Backbone interact. energy: -0.111
local terms energy: -51.820031
where:
bonds (distance) C4'-P energy: -10.240
bonds (distance) P-C4' energy: -12.143
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -4.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -83.705145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.705145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.705145 (E_RNA)
where:
Base-Base interactions energy: -31.141
where: short stacking energy: -31.141
Base-Backbone interact. energy: -0.055
local terms energy: -52.509654
where:
bonds (distance) C4'-P energy: -8.903
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -9.577
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: 10, replica: 10
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -83.259396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.259396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.259396 (E_RNA)
where:
Base-Base interactions energy: -36.913
where: short stacking energy: -25.658
Base-Backbone interact. energy: -0.266
local terms energy: -46.080472
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -1.499
tors. eta vs tors. theta energy: -0.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -235.492674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.492674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.492674 (E_RNA)
where:
Base-Base interactions energy: -150.536
where: short stacking energy: -78.034
Base-Backbone interact. energy: -0.289
local terms energy: -84.666939
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -21.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -212.075384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.075384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.075384 (E_RNA)
where:
Base-Base interactions energy: -133.193
where: short stacking energy: -57.208
Base-Backbone interact. energy: -0.015
local terms energy: -78.866692
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -10.614
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: 3, replica: 2
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -215.225803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.225803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.225803 (E_RNA)
where:
Base-Base interactions energy: -146.247
where: short stacking energy: -53.653
Base-Backbone interact. energy: -0.066
local terms energy: -68.912668
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -16.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -187.974240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.974240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.974240 (E_RNA)
where:
Base-Base interactions energy: -121.441
where: short stacking energy: -57.469
Base-Backbone interact. energy: 0.254
local terms energy: -66.787597
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -11.986
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: 5, replica: 7
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -171.034068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.034068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.034068 (E_RNA)
where:
Base-Base interactions energy: -101.063
where: short stacking energy: -50.162
Base-Backbone interact. energy: -0.172
local terms energy: -69.799786
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -11.190
flat angles P-C4'-P energy: -10.936
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: 6, replica: 9
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -151.611244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.611244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.611244 (E_RNA)
where:
Base-Base interactions energy: -93.235
where: short stacking energy: -38.098
Base-Backbone interact. energy: -1.289
local terms energy: -57.087210
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -3.220
tors. eta vs tors. theta energy: -9.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -89.120723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.120723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.120723 (E_RNA)
where:
Base-Base interactions energy: -43.351
where: short stacking energy: -43.351
Base-Backbone interact. energy: 1.109
local terms energy: -46.878914
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -5.770
tors. eta vs tors. theta energy: -3.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -79.054966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.054966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.054966 (E_RNA)
where:
Base-Base interactions energy: -36.138
where: short stacking energy: -36.138
Base-Backbone interact. energy: -0.098
local terms energy: -42.818960
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -8.874
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -1.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -80.672511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.672511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.672511 (E_RNA)
where:
Base-Base interactions energy: -30.466
where: short stacking energy: -30.466
Base-Backbone interact. energy: -0.262
local terms energy: -49.944662
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -5.531
tors. eta vs tors. theta energy: -3.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -73.088079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.088079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.088079 (E_RNA)
where:
Base-Base interactions energy: -26.608
where: short stacking energy: -24.663
Base-Backbone interact. energy: -0.162
local terms energy: -46.318161
where:
bonds (distance) C4'-P energy: -9.230
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -9.698
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -4.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -228.415713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.415713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.415713 (E_RNA)
where:
Base-Base interactions energy: -151.345
where: short stacking energy: -77.031
Base-Backbone interact. energy: -0.046
local terms energy: -77.024550
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -20.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -219.301047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.301047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.301047 (E_RNA)
where:
Base-Base interactions energy: -148.259
where: short stacking energy: -64.484
Base-Backbone interact. energy: -0.330
local terms energy: -70.712817
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -16.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -218.756477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.756477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.756477 (E_RNA)
where:
Base-Base interactions energy: -142.589
where: short stacking energy: -48.883
Base-Backbone interact. energy: -2.035
local terms energy: -74.132522
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -18.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -178.177126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.177126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.177126 (E_RNA)
where:
Base-Base interactions energy: -106.518
where: short stacking energy: -57.856
Base-Backbone interact. energy: -0.001
local terms energy: -71.658487
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -7.120
tors. eta vs tors. theta energy: -19.572
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: 8
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -187.508334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.508334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.508334 (E_RNA)
where:
Base-Base interactions energy: -118.703
where: short stacking energy: -59.297
Base-Backbone interact. energy: -0.096
local terms energy: -68.709235
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -11.845
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -17.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -153.600849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.600849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.600849 (E_RNA)
where:
Base-Base interactions energy: -99.311
where: short stacking energy: -40.669
Base-Backbone interact. energy: -0.588
local terms energy: -53.702290
where:
bonds (distance) C4'-P energy: -11.364
bonds (distance) P-C4' energy: -13.516
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -5.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -82.482026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.482026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.482026 (E_RNA)
where:
Base-Base interactions energy: -30.781
where: short stacking energy: -27.807
Base-Backbone interact. energy: -0.221
local terms energy: -51.479801
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -1.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -86.682983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.682983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.682983 (E_RNA)
where:
Base-Base interactions energy: -30.188
where: short stacking energy: -30.188
Base-Backbone interact. energy: -0.096
local terms energy: -56.398960
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -10.865
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -6.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -107.783727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.783727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.783727 (E_RNA)
where:
Base-Base interactions energy: -55.055
where: short stacking energy: -22.555
Base-Backbone interact. energy: -0.056
local terms energy: -52.673038
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -10.574
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -6.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -88.683587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.683587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.683587 (E_RNA)
where:
Base-Base interactions energy: -37.169
where: short stacking energy: -37.169
Base-Backbone interact. energy: -0.126
local terms energy: -51.389354
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -2.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -225.138182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.138182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.138182 (E_RNA)
where:
Base-Base interactions energy: -144.846
where: short stacking energy: -72.435
Base-Backbone interact. energy: 0.029
local terms energy: -80.320509
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -16.187
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -20.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -211.308402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.308402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.308402 (E_RNA)
where:
Base-Base interactions energy: -143.189
where: short stacking energy: -57.987
Base-Backbone interact. energy: -0.567
local terms energy: -67.552582
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -10.191
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -17.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -211.834820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.834820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.834820 (E_RNA)
where:
Base-Base interactions energy: -147.218
where: short stacking energy: -61.717
Base-Backbone interact. energy: -0.081
local terms energy: -64.535072
where:
bonds (distance) C4'-P energy: -10.862
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -7.665
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: 4, replica: 7
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -180.232413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.232413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.232413 (E_RNA)
where:
Base-Base interactions energy: -107.347
where: short stacking energy: -57.331
Base-Backbone interact. energy: -0.291
local terms energy: -72.593793
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -12.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -152.220719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.220719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.220719 (E_RNA)
where:
Base-Base interactions energy: -97.691
where: short stacking energy: -53.347
Base-Backbone interact. energy: -0.221
local terms energy: -54.308302
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -9.123
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -5.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -168.226142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.226142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.226142 (E_RNA)
where:
Base-Base interactions energy: -111.017
where: short stacking energy: -58.551
Base-Backbone interact. energy: -0.290
local terms energy: -56.918619
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -12.685
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -7.841
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: 7, replica: 10
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -87.357864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.357864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.357864 (E_RNA)
where:
Base-Base interactions energy: -30.017
where: short stacking energy: -30.017
Base-Backbone interact. energy: -0.105
local terms energy: -57.235908
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -10.163
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -4.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -80.754657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.754657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.754657 (E_RNA)
where:
Base-Base interactions energy: -28.445
where: short stacking energy: -25.872
Base-Backbone interact. energy: -0.246
local terms energy: -52.063920
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -5.918
tors. eta vs tors. theta energy: -3.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -90.931423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.931423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.931423 (E_RNA)
where:
Base-Base interactions energy: -48.183
where: short stacking energy: -23.869
Base-Backbone interact. energy: -0.333
local terms energy: -42.414994
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -9.086
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -6.248
tors. eta vs tors. theta energy: -0.459
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: 1
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -74.980172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.980172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.980172 (E_RNA)
where:
Base-Base interactions energy: -28.047
where: short stacking energy: -18.493
Base-Backbone interact. energy: 0.519
local terms energy: -47.452391
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -8.867
flat angles P-C4'-P energy: -5.640
tors. eta vs tors. theta energy: -2.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -229.505190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.505190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.505190 (E_RNA)
where:
Base-Base interactions energy: -147.142
where: short stacking energy: -76.488
Base-Backbone interact. energy: -0.042
local terms energy: -82.320839
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -21.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -222.426013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.426013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.426013 (E_RNA)
where:
Base-Base interactions energy: -147.203
where: short stacking energy: -64.191
Base-Backbone interact. energy: -1.522
local terms energy: -73.701156
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -17.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -208.917556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.917556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.917556 (E_RNA)
where:
Base-Base interactions energy: -143.114
where: short stacking energy: -55.381
Base-Backbone interact. energy: -0.059
local terms energy: -65.744210
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -13.953
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -10.953
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: 4, replica: 7
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -185.309850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.309850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.309850 (E_RNA)
where:
Base-Base interactions energy: -121.917
where: short stacking energy: -66.095
Base-Backbone interact. energy: -0.011
local terms energy: -63.381871
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -8.340
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: 5, replica: 9
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -184.746068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.746068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.746068 (E_RNA)
where:
Base-Base interactions energy: -112.089
where: short stacking energy: -56.506
Base-Backbone interact. energy: -0.138
local terms energy: -72.518901
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -17.788
flat angles P-C4'-P energy: -11.665
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: 6, replica: 8
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -140.406100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.406100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.406100 (E_RNA)
where:
Base-Base interactions energy: -79.536
where: short stacking energy: -48.736
Base-Backbone interact. energy: -0.043
local terms energy: -60.826714
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -11.257
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -9.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -101.135504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.135504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.135504 (E_RNA)
where:
Base-Base interactions energy: -41.288
where: short stacking energy: -40.812
Base-Backbone interact. energy: -0.116
local terms energy: -59.731151
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -9.260
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: 8, replica: 3
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -86.952102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.952102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.952102 (E_RNA)
where:
Base-Base interactions energy: -37.918
where: short stacking energy: -28.340
Base-Backbone interact. energy: -0.145
local terms energy: -48.889100
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -11.329
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -1.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -82.567890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.567890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.567890 (E_RNA)
where:
Base-Base interactions energy: -31.355
where: short stacking energy: -27.663
Base-Backbone interact. energy: -0.020
local terms energy: -51.193294
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -5.158
tors. eta vs tors. theta energy: -6.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -82.460105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.460105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.460105 (E_RNA)
where:
Base-Base interactions energy: -29.799
where: short stacking energy: -22.552
Base-Backbone interact. energy: 1.391
local terms energy: -54.051408
where:
bonds (distance) C4'-P energy: -11.069
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -6.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -227.902198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.902198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.902198 (E_RNA)
where:
Base-Base interactions energy: -147.559
where: short stacking energy: -69.310
Base-Backbone interact. energy: -0.000
local terms energy: -80.343052
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -12.593
tors. eta vs tors. theta energy: -22.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -214.494252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.494252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.494252 (E_RNA)
where:
Base-Base interactions energy: -138.894
where: short stacking energy: -68.622
Base-Backbone interact. energy: -0.001
local terms energy: -75.599831
where:
bonds (distance) C4'-P energy: -14.510
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -19.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -209.793654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.793654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.793654 (E_RNA)
where:
Base-Base interactions energy: -143.426
where: short stacking energy: -59.731
Base-Backbone interact. energy: -0.329
local terms energy: -66.039094
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -16.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -191.906086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.906086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.906086 (E_RNA)
where:
Base-Base interactions energy: -121.349
where: short stacking energy: -59.812
Base-Backbone interact. energy: -0.001
local terms energy: -70.556400
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -18.242
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: 8
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -140.173204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.173204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.173204 (E_RNA)
where:
Base-Base interactions energy: -81.199
where: short stacking energy: -47.380
Base-Backbone interact. energy: 1.534
local terms energy: -60.508167
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -13.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -165.381868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.381868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.381868 (E_RNA)
where:
Base-Base interactions energy: -98.740
where: short stacking energy: -48.716
Base-Backbone interact. energy: 0.003
local terms energy: -66.644981
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -10.210
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: 7, replica: 3
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -92.172901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.172901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.172901 (E_RNA)
where:
Base-Base interactions energy: -39.209
where: short stacking energy: -31.955
Base-Backbone interact. energy: -0.499
local terms energy: -52.465111
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -11.589
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -2.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -91.987314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.987314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.987314 (E_RNA)
where:
Base-Base interactions energy: -46.285
where: short stacking energy: -33.461
Base-Backbone interact. energy: -0.126
local terms energy: -45.576368
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -2.607
tors. eta vs tors. theta energy: -5.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -95.681209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.681209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.681209 (E_RNA)
where:
Base-Base interactions energy: -45.857
where: short stacking energy: -28.371
Base-Backbone interact. energy: -0.101
local terms energy: -49.722623
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: 1.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -89.153964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.153964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.153964 (E_RNA)
where:
Base-Base interactions energy: -47.096
where: short stacking energy: -29.726
Base-Backbone interact. energy: -0.175
local terms energy: -41.883399
where:
bonds (distance) C4'-P energy: -8.184
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -4.867
tors. eta vs tors. theta energy: -1.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -225.055906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.055906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.055906 (E_RNA)
where:
Base-Base interactions energy: -142.622
where: short stacking energy: -72.281
Base-Backbone interact. energy: -0.004
local terms energy: -82.429613
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -20.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -219.162131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.162131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.162131 (E_RNA)
where:
Base-Base interactions energy: -148.170
where: short stacking energy: -58.606
Base-Backbone interact. energy: -0.777
local terms energy: -70.214921
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -15.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -206.486930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.486930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.486930 (E_RNA)
where:
Base-Base interactions energy: -139.338
where: short stacking energy: -58.999
Base-Backbone interact. energy: -0.118
local terms energy: -67.030968
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -6.679
tors. eta vs tors. theta energy: -13.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -176.467181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.467181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.467181 (E_RNA)
where:
Base-Base interactions energy: -111.605
where: short stacking energy: -62.636
Base-Backbone interact. energy: -0.208
local terms energy: -64.653333
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -10.220
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -18.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -164.338675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.338675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.338675 (E_RNA)
where:
Base-Base interactions energy: -105.437
where: short stacking energy: -51.403
Base-Backbone interact. energy: 0.701
local terms energy: -59.601847
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -6.669
tors. eta vs tors. theta energy: -6.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -138.714976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.714976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.714976 (E_RNA)
where:
Base-Base interactions energy: -87.983
where: short stacking energy: -44.920
Base-Backbone interact. energy: 2.208
local terms energy: -52.940566
where:
bonds (distance) C4'-P energy: -5.322
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -7.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -100.985960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.985960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.985960 (E_RNA)
where:
Base-Base interactions energy: -44.839
where: short stacking energy: -38.724
Base-Backbone interact. energy: -0.571
local terms energy: -55.576570
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -11.435
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -6.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -101.674487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.674487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.674487 (E_RNA)
where:
Base-Base interactions energy: -40.493
where: short stacking energy: -40.365
Base-Backbone interact. energy: -0.081
local terms energy: -61.100911
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -9.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -88.231644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.231644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.231644 (E_RNA)
where:
Base-Base interactions energy: -31.722
where: short stacking energy: -25.856
Base-Backbone interact. energy: -0.229
local terms energy: -56.280396
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -4.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -77.360183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.360183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.360183 (E_RNA)
where:
Base-Base interactions energy: -35.855
where: short stacking energy: -22.171
Base-Backbone interact. energy: -0.110
local terms energy: -41.394882
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -9.416
flat angles C4'-P-C4' energy: -10.537
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -1.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -222.503693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.503693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.503693 (E_RNA)
where:
Base-Base interactions energy: -148.457
where: short stacking energy: -60.537
Base-Backbone interact. energy: -1.010
local terms energy: -73.036887
where:
bonds (distance) C4'-P energy: -17.468
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -14.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -221.200034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.200034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.200034 (E_RNA)
where:
Base-Base interactions energy: -140.454
where: short stacking energy: -69.421
Base-Backbone interact. energy: -0.101
local terms energy: -80.644994
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -20.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -179.014785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.014785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.014785 (E_RNA)
where:
Base-Base interactions energy: -109.253
where: short stacking energy: -59.069
Base-Backbone interact. energy: -0.027
local terms energy: -69.735039
where:
bonds (distance) C4'-P energy: -9.815
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -16.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -185.775578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.775578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.775578 (E_RNA)
where:
Base-Base interactions energy: -118.020
where: short stacking energy: -54.308
Base-Backbone interact. energy: -0.333
local terms energy: -67.422441
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -6.209
tors. eta vs tors. theta energy: -12.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -148.853174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.853174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.853174 (E_RNA)
where:
Base-Base interactions energy: -86.194
where: short stacking energy: -41.299
Base-Backbone interact. energy: -0.098
local terms energy: -62.560779
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -11.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -165.432276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.432276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.432276 (E_RNA)
where:
Base-Base interactions energy: -91.163
where: short stacking energy: -55.774
Base-Backbone interact. energy: -1.504
local terms energy: -72.764328
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -15.275
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: 1
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -94.387970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.387970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.387970 (E_RNA)
where:
Base-Base interactions energy: -40.521
where: short stacking energy: -30.614
Base-Backbone interact. energy: 0.584
local terms energy: -54.451362
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -10.468
flat angles P-C4'-P energy: -5.293
tors. eta vs tors. theta energy: -9.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -92.545617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.545617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.545617 (E_RNA)
where:
Base-Base interactions energy: -35.927
where: short stacking energy: -35.878
Base-Backbone interact. energy: -0.842
local terms energy: -55.776858
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -4.309
tors. eta vs tors. theta energy: -6.876
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: 4
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -90.660685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.660685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.660685 (E_RNA)
where:
Base-Base interactions energy: -47.868
where: short stacking energy: -27.381
Base-Backbone interact. energy: -0.175
local terms energy: -42.617864
where:
bonds (distance) C4'-P energy: -9.660
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -2.331
tors. eta vs tors. theta energy: -5.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -79.087355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.087355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.087355 (E_RNA)
where:
Base-Base interactions energy: -36.813
where: short stacking energy: -29.710
Base-Backbone interact. energy: -0.416
local terms energy: -41.858726
where:
bonds (distance) C4'-P energy: -4.311
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -7.627
tors. eta vs tors. theta energy: -4.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -225.869767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.869767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.869767 (E_RNA)
where:
Base-Base interactions energy: -151.081
where: short stacking energy: -55.491
Base-Backbone interact. energy: -1.483
local terms energy: -73.305879
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -16.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -220.792990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.792990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.792990 (E_RNA)
where:
Base-Base interactions energy: -142.983
where: short stacking energy: -64.464
Base-Backbone interact. energy: -0.059
local terms energy: -77.750976
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -17.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -178.030369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.030369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.030369 (E_RNA)
where:
Base-Base interactions energy: -105.541
where: short stacking energy: -56.016
Base-Backbone interact. energy: -0.088
local terms energy: -72.401266
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -15.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -194.862124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.862124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.862124 (E_RNA)
where:
Base-Base interactions energy: -134.438
where: short stacking energy: -51.096
Base-Backbone interact. energy: -0.217
local terms energy: -60.207527
where:
bonds (distance) C4'-P energy: -11.226
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -9.590
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -14.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -151.652522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.652522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.652522 (E_RNA)
where:
Base-Base interactions energy: -86.520
where: short stacking energy: -46.016
Base-Backbone interact. energy: -0.132
local terms energy: -64.999776
where:
bonds (distance) C4'-P energy: -9.988
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -8.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -155.794036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.794036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.794036 (E_RNA)
where:
Base-Base interactions energy: -92.544
where: short stacking energy: -45.257
Base-Backbone interact. energy: -0.146
local terms energy: -63.104062
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -12.618
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -11.069
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: 7, replica: 1
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -105.762942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.762942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.762942 (E_RNA)
where:
Base-Base interactions energy: -44.532
where: short stacking energy: -44.532
Base-Backbone interact. energy: -0.094
local terms energy: -61.137120
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -7.196
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: 4
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -89.442003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.442003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.442003 (E_RNA)
where:
Base-Base interactions energy: -40.208
where: short stacking energy: -38.885
Base-Backbone interact. energy: 0.494
local terms energy: -49.727984
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -7.854
flat angles C4'-P-C4' energy: -10.398
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -5.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -88.035064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.035064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.035064 (E_RNA)
where:
Base-Base interactions energy: -35.114
where: short stacking energy: -34.309
Base-Backbone interact. energy: -0.106
local terms energy: -52.815082
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -1.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -84.662468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.662468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.662468 (E_RNA)
where:
Base-Base interactions energy: -35.112
where: short stacking energy: -35.112
Base-Backbone interact. energy: 1.274
local terms energy: -50.824150
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -11.166
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -2.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -230.734512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.734512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.734512 (E_RNA)
where:
Base-Base interactions energy: -149.008
where: short stacking energy: -68.926
Base-Backbone interact. energy: -0.002
local terms energy: -81.724516
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -19.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -217.732551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.732551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.732551 (E_RNA)
where:
Base-Base interactions energy: -149.125
where: short stacking energy: -57.807
Base-Backbone interact. energy: -1.673
local terms energy: -66.935499
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -16.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -210.989510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.989510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.989510 (E_RNA)
where:
Base-Base interactions energy: -144.128
where: short stacking energy: -67.383
Base-Backbone interact. energy: -0.115
local terms energy: -66.746349
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -4.299
tors. eta vs tors. theta energy: -19.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -168.154677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.154677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.154677 (E_RNA)
where:
Base-Base interactions energy: -100.525
where: short stacking energy: -48.720
Base-Backbone interact. energy: -0.214
local terms energy: -67.416430
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -13.681
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: 370
Temperature: 1.100000
Total energy: -154.261820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.261820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.261820 (E_RNA)
where:
Base-Base interactions energy: -99.886
where: short stacking energy: -42.682
Base-Backbone interact. energy: -0.705
local terms energy: -53.670991
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -9.994
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -5.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -150.797377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.797377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.797377 (E_RNA)
where:
Base-Base interactions energy: -87.891
where: short stacking energy: -41.042
Base-Backbone interact. energy: 1.638
local terms energy: -64.544354
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -17.218
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -9.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -78.462244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.462244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.462244 (E_RNA)
where:
Base-Base interactions energy: -26.456
where: short stacking energy: -24.850
Base-Backbone interact. energy: -0.354
local terms energy: -51.651910
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -7.523
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -3.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -95.982136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.982136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.982136 (E_RNA)
where:
Base-Base interactions energy: -40.574
where: short stacking energy: -37.161
Base-Backbone interact. energy: -0.045
local terms energy: -55.362674
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -3.916
tors. eta vs tors. theta energy: -11.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -89.349992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.349992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.349992 (E_RNA)
where:
Base-Base interactions energy: -41.496
where: short stacking energy: -38.742
Base-Backbone interact. energy: -0.387
local terms energy: -47.467021
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -8.099
flat angles P-C4'-P energy: -5.700
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: 10, replica: 10
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -78.000485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.000485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.000485 (E_RNA)
where:
Base-Base interactions energy: -23.752
where: short stacking energy: -21.108
Base-Backbone interact. energy: -0.151
local terms energy: -54.097404
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -4.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -220.494040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.494040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.494040 (E_RNA)
where:
Base-Base interactions energy: -146.499
where: short stacking energy: -68.796
Base-Backbone interact. energy: -0.037
local terms energy: -73.958112
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -10.629
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -10.610
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: 5
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -221.183846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.183846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.183846 (E_RNA)
where:
Base-Base interactions energy: -145.559
where: short stacking energy: -62.168
Base-Backbone interact. energy: -0.357
local terms energy: -75.268480
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: -20.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -214.440353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.440353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.440353 (E_RNA)
where:
Base-Base interactions energy: -150.293
where: short stacking energy: -56.515
Base-Backbone interact. energy: -0.207
local terms energy: -63.940343
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -3.580
tors. eta vs tors. theta energy: -15.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -155.590183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.590183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.590183 (E_RNA)
where:
Base-Base interactions energy: -94.532
where: short stacking energy: -46.374
Base-Backbone interact. energy: -0.143
local terms energy: -60.915574
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -4.682
tors. eta vs tors. theta energy: -12.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -144.892163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.892163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.892163 (E_RNA)
where:
Base-Base interactions energy: -86.775
where: short stacking energy: -43.038
Base-Backbone interact. energy: -0.442
local terms energy: -57.674948
where:
bonds (distance) C4'-P energy: -10.531
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -7.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -142.595600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.595600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.595600 (E_RNA)
where:
Base-Base interactions energy: -85.407
where: short stacking energy: -43.624
Base-Backbone interact. energy: -0.330
local terms energy: -56.858528
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -6.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -99.140229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.140229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.140229 (E_RNA)
where:
Base-Base interactions energy: -44.286
where: short stacking energy: -44.286
Base-Backbone interact. energy: -0.108
local terms energy: -54.745557
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -7.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -84.837349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.837349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.837349 (E_RNA)
where:
Base-Base interactions energy: -39.012
where: short stacking energy: -33.858
Base-Backbone interact. energy: -0.328
local terms energy: -45.497308
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -5.923
tors. eta vs tors. theta energy: 1.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -77.200864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.200864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.200864 (E_RNA)
where:
Base-Base interactions energy: -29.510
where: short stacking energy: -24.493
Base-Backbone interact. energy: -0.048
local terms energy: -47.642280
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -8.791
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: 0.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -82.344291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.344291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.344291 (E_RNA)
where:
Base-Base interactions energy: -36.880
where: short stacking energy: -33.042
Base-Backbone interact. energy: -0.064
local terms energy: -45.400934
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -10.284
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -1.689
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: 6
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -232.786798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.786798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.786798 (E_RNA)
where:
Base-Base interactions energy: -156.884
where: short stacking energy: -72.213
Base-Backbone interact. energy: -0.084
local terms energy: -75.818558
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -20.935
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: 5
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -218.554542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.554542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.554542 (E_RNA)
where:
Base-Base interactions energy: -149.124
where: short stacking energy: -56.245
Base-Backbone interact. energy: -1.099
local terms energy: -68.330703
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -8.503
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: 3, replica: 2
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -214.099345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.099345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.099345 (E_RNA)
where:
Base-Base interactions energy: -137.261
where: short stacking energy: -52.790
Base-Backbone interact. energy: -0.982
local terms energy: -75.855979
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -17.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -179.198378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.198378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.198378 (E_RNA)
where:
Base-Base interactions energy: -115.025
where: short stacking energy: -49.194
Base-Backbone interact. energy: -0.229
local terms energy: -63.944631
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -9.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -167.616451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.616451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.616451 (E_RNA)
where:
Base-Base interactions energy: -109.550
where: short stacking energy: -35.584
Base-Backbone interact. energy: -0.386
local terms energy: -57.680329
where:
bonds (distance) C4'-P energy: -9.399
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -3.982
tors. eta vs tors. theta energy: -11.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -157.883312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.883312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.883312 (E_RNA)
where:
Base-Base interactions energy: -94.716
where: short stacking energy: -39.515
Base-Backbone interact. energy: -0.110
local terms energy: -63.057637
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -13.916
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: 3
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -91.463190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.463190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.463190 (E_RNA)
where:
Base-Base interactions energy: -49.509
where: short stacking energy: -25.380
Base-Backbone interact. energy: -0.522
local terms energy: -41.431969
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -10.906
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -4.838
tors. eta vs tors. theta energy: -1.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -83.656151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.656151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.656151 (E_RNA)
where:
Base-Base interactions energy: -29.675
where: short stacking energy: -27.681
Base-Backbone interact. energy: -0.190
local terms energy: -53.791241
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -12.745
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -8.215
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: 9, replica: 10
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -102.769321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.769321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.769321 (E_RNA)
where:
Base-Base interactions energy: -52.703
where: short stacking energy: -29.955
Base-Backbone interact. energy: -0.157
local terms energy: -49.909605
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -8.124
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -7.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -74.902458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.902458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.902458 (E_RNA)
where:
Base-Base interactions energy: -27.943
where: short stacking energy: -23.502
Base-Backbone interact. energy: -0.274
local terms energy: -46.684871
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -11.368
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: 2.722
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: 6
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -226.223660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.223660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.223660 (E_RNA)
where:
Base-Base interactions energy: -147.589
where: short stacking energy: -45.926
Base-Backbone interact. energy: -0.565
local terms energy: -78.069676
where:
bonds (distance) C4'-P energy: -18.213
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -16.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -219.200334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.200334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.200334 (E_RNA)
where:
Base-Base interactions energy: -138.723
where: short stacking energy: -66.620
Base-Backbone interact. energy: -0.001
local terms energy: -80.476775
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -21.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -210.875014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.875014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.875014 (E_RNA)
where:
Base-Base interactions energy: -139.226
where: short stacking energy: -55.139
Base-Backbone interact. energy: -0.323
local terms energy: -71.326295
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -7.063
tors. eta vs tors. theta energy: -17.981
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: 8
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -184.823321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.823321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.823321 (E_RNA)
where:
Base-Base interactions energy: -120.216
where: short stacking energy: -53.997
Base-Backbone interact. energy: -0.066
local terms energy: -64.541468
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -10.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -156.910859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.910859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.910859 (E_RNA)
where:
Base-Base interactions energy: -98.056
where: short stacking energy: -46.602
Base-Backbone interact. energy: -0.293
local terms energy: -58.561122
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -10.118
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -13.462
tors. eta vs tors. theta energy: -6.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -168.949378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.949378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.949378 (E_RNA)
where:
Base-Base interactions energy: -96.533
where: short stacking energy: -50.964
Base-Backbone interact. energy: -0.737
local terms energy: -71.679549
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -10.323
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: 7, replica: 3
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -87.374358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.374358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.374358 (E_RNA)
where:
Base-Base interactions energy: -34.606
where: short stacking energy: -31.318
Base-Backbone interact. energy: -0.270
local terms energy: -52.498050
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -12.135
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -6.194
tors. eta vs tors. theta energy: -7.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -91.473308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.473308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.473308 (E_RNA)
where:
Base-Base interactions energy: -32.315
where: short stacking energy: -27.473
Base-Backbone interact. energy: -0.095
local terms energy: -59.063796
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -6.328
tors. eta vs tors. theta energy: -6.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -101.675806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.675806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.675806 (E_RNA)
where:
Base-Base interactions energy: -43.759
where: short stacking energy: -36.629
Base-Backbone interact. energy: -0.195
local terms energy: -57.721826
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -6.498
tors. eta vs tors. theta energy: -5.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -90.394237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.394237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.394237 (E_RNA)
where:
Base-Base interactions energy: -49.033
where: short stacking energy: -28.014
Base-Backbone interact. energy: 1.114
local terms energy: -42.475462
where:
bonds (distance) C4'-P energy: -8.253
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -7.140
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: 0.669
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: 1, replica: 6
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -223.510674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.510674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.510674 (E_RNA)
where:
Base-Base interactions energy: -147.453
where: short stacking energy: -56.563
Base-Backbone interact. energy: -0.160
local terms energy: -75.897751
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -14.509
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -17.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -221.349527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.349527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.349527 (E_RNA)
where:
Base-Base interactions energy: -143.008
where: short stacking energy: -73.686
Base-Backbone interact. energy: -0.000
local terms energy: -78.341056
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -11.781
flat angles P-C4'-P energy: -15.256
tors. eta vs tors. theta energy: -21.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -203.253114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.253114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.253114 (E_RNA)
where:
Base-Base interactions energy: -135.569
where: short stacking energy: -55.001
Base-Backbone interact. energy: -0.174
local terms energy: -67.509672
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -15.927
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: 374
Temperature: 1.050000
Total energy: -184.235851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.235851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.235851 (E_RNA)
where:
Base-Base interactions energy: -118.642
where: short stacking energy: -56.871
Base-Backbone interact. energy: 1.656
local terms energy: -67.250558
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -14.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -182.112274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.112274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.112274 (E_RNA)
where:
Base-Base interactions energy: -109.445
where: short stacking energy: -64.174
Base-Backbone interact. energy: -0.399
local terms energy: -72.268001
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -10.969
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: 6, replica: 9
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -161.893948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.893948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.893948 (E_RNA)
where:
Base-Base interactions energy: -94.030
where: short stacking energy: -46.885
Base-Backbone interact. energy: -0.033
local terms energy: -67.831574
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -12.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -94.815668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.815668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.815668 (E_RNA)
where:
Base-Base interactions energy: -37.112
where: short stacking energy: -21.226
Base-Backbone interact. energy: -0.228
local terms energy: -57.474709
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -8.767
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: 8, replica: 4
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -86.887137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.887137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.887137 (E_RNA)
where:
Base-Base interactions energy: -26.301
where: short stacking energy: -26.301
Base-Backbone interact. energy: -0.006
local terms energy: -60.579610
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -10.783
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -6.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -86.073519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.073519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.073519 (E_RNA)
where:
Base-Base interactions energy: -39.487
where: short stacking energy: -39.417
Base-Backbone interact. energy: -0.020
local terms energy: -46.567274
where:
bonds (distance) C4'-P energy: -3.836
bonds (distance) P-C4' energy: -16.592
flat angles C4'-P-C4' energy: -9.439
flat angles P-C4'-P energy: -8.459
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: 10, replica: 10
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -76.330442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.330442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.330442 (E_RNA)
where:
Base-Base interactions energy: -33.690
where: short stacking energy: -31.438
Base-Backbone interact. energy: -0.077
local terms energy: -42.564011
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -9.254
flat angles C4'-P-C4' energy: -11.271
flat angles P-C4'-P energy: -3.484
tors. eta vs tors. theta energy: -4.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -226.801488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.801488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.801488 (E_RNA)
where:
Base-Base interactions energy: -151.179
where: short stacking energy: -64.917
Base-Backbone interact. energy: -0.408
local terms energy: -75.214212
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -19.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -221.378257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.378257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.378257 (E_RNA)
where:
Base-Base interactions energy: -147.303
where: short stacking energy: -73.520
Base-Backbone interact. energy: -0.507
local terms energy: -73.568081
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -18.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -204.414732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.414732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.414732 (E_RNA)
where:
Base-Base interactions energy: -132.084
where: short stacking energy: -63.304
Base-Backbone interact. energy: -0.003
local terms energy: -72.326845
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -20.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -186.222060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.222060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.222060 (E_RNA)
where:
Base-Base interactions energy: -117.287
where: short stacking energy: -54.522
Base-Backbone interact. energy: -0.093
local terms energy: -68.841403
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -12.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -178.826025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.826025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.826025 (E_RNA)
where:
Base-Base interactions energy: -107.210
where: short stacking energy: -57.128
Base-Backbone interact. energy: -1.378
local terms energy: -70.237721
where:
bonds (distance) C4'-P energy: -11.848
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -14.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -194.825657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.825657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.825657 (E_RNA)
where:
Base-Base interactions energy: -122.386
where: short stacking energy: -54.319
Base-Backbone interact. energy: -0.004
local terms energy: -72.435598
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -9.215
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: 3
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -83.576129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.576129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.576129 (E_RNA)
where:
Base-Base interactions energy: -28.049
where: short stacking energy: -28.049
Base-Backbone interact. energy: -0.241
local terms energy: -55.286468
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -13.517
tors. eta vs tors. theta energy: -0.030
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: 8, replica: 1
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -77.307642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.307642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.307642 (E_RNA)
where:
Base-Base interactions energy: -21.530
where: short stacking energy: -10.362
Base-Backbone interact. energy: 0.593
local terms energy: -56.370816
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -13.279
tors. eta vs tors. theta energy: 0.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -87.356116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.356116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.356116 (E_RNA)
where:
Base-Base interactions energy: -24.373
where: short stacking energy: -22.144
Base-Backbone interact. energy: -0.009
local terms energy: -62.973781
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -8.724
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: 10, replica: 10
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -72.349698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.349698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.349698 (E_RNA)
where:
Base-Base interactions energy: -24.401
where: short stacking energy: -24.401
Base-Backbone interact. energy: -0.065
local terms energy: -47.882907
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -11.414
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -1.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -220.970365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.970365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.970365 (E_RNA)
where:
Base-Base interactions energy: -145.045
where: short stacking energy: -68.805
Base-Backbone interact. energy: -0.000
local terms energy: -75.925413
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -5.934
tors. eta vs tors. theta energy: -22.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -214.531558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.531558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.531558 (E_RNA)
where:
Base-Base interactions energy: -141.092
where: short stacking energy: -63.814
Base-Backbone interact. energy: -0.082
local terms energy: -73.358246
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -17.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -213.894549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.894549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.894549 (E_RNA)
where:
Base-Base interactions energy: -134.486
where: short stacking energy: -65.524
Base-Backbone interact. energy: -0.006
local terms energy: -79.402988
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -20.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -192.092310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.092310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.092310 (E_RNA)
where:
Base-Base interactions energy: -130.218
where: short stacking energy: -60.223
Base-Backbone interact. energy: -0.133
local terms energy: -61.741711
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -13.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -173.595652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.595652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.595652 (E_RNA)
where:
Base-Base interactions energy: -106.287
where: short stacking energy: -48.519
Base-Backbone interact. energy: -0.219
local terms energy: -67.089702
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -16.816
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -10.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -203.457213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.457213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.457213 (E_RNA)
where:
Base-Base interactions energy: -138.110
where: short stacking energy: -62.414
Base-Backbone interact. energy: -0.057
local terms energy: -65.290184
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: -17.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -90.013483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.013483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.013483 (E_RNA)
where:
Base-Base interactions energy: -35.319
where: short stacking energy: -32.416
Base-Backbone interact. energy: -0.150
local terms energy: -54.544039
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -11.168
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -5.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -80.471897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.471897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.471897 (E_RNA)
where:
Base-Base interactions energy: -33.443
where: short stacking energy: -29.776
Base-Backbone interact. energy: -0.092
local terms energy: -46.937112
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -12.094
flat angles C4'-P-C4' energy: -7.822
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -3.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -100.331439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.331439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.331439 (E_RNA)
where:
Base-Base interactions energy: -47.651
where: short stacking energy: -41.904
Base-Backbone interact. energy: -0.484
local terms energy: -52.195840
where:
bonds (distance) C4'-P energy: -5.405
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -11.068
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -9.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -77.077656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.077656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.077656 (E_RNA)
where:
Base-Base interactions energy: -23.354
where: short stacking energy: -18.618
Base-Backbone interact. energy: -0.311
local terms energy: -53.412571
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -10.802
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -1.591
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: 6
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -218.525873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.525873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.525873 (E_RNA)
where:
Base-Base interactions energy: -143.582
where: short stacking energy: -69.538
Base-Backbone interact. energy: -0.040
local terms energy: -74.904002
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -9.773
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: 2, replica: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -226.979709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.979709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.979709 (E_RNA)
where:
Base-Base interactions energy: -150.306
where: short stacking energy: -64.509
Base-Backbone interact. energy: -0.130
local terms energy: -76.543137
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -18.139
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: 3, replica: 5
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -222.762391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.762391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.762391 (E_RNA)
where:
Base-Base interactions energy: -143.282
where: short stacking energy: -67.636
Base-Backbone interact. energy: -0.005
local terms energy: -79.476024
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -21.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -203.257106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.257106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.257106 (E_RNA)
where:
Base-Base interactions energy: -132.072
where: short stacking energy: -61.067
Base-Backbone interact. energy: -0.441
local terms energy: -70.744237
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -6.687
tors. eta vs tors. theta energy: -18.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -177.661153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.661153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.661153 (E_RNA)
where:
Base-Base interactions energy: -105.110
where: short stacking energy: -52.860
Base-Backbone interact. energy: -0.486
local terms energy: -72.065037
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -12.043
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: 6, replica: 9
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -206.020205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.020205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.020205 (E_RNA)
where:
Base-Base interactions energy: -139.406
where: short stacking energy: -59.022
Base-Backbone interact. energy: -0.563
local terms energy: -66.050729
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -11.654
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -19.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -99.744042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.744042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.744042 (E_RNA)
where:
Base-Base interactions energy: -41.874
where: short stacking energy: -37.061
Base-Backbone interact. energy: -0.040
local terms energy: -57.829583
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -10.869
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -5.393
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: 1
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -93.315147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.315147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.315147 (E_RNA)
where:
Base-Base interactions energy: -35.448
where: short stacking energy: -33.061
Base-Backbone interact. energy: 0.070
local terms energy: -57.936943
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -3.114
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: 10
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -93.958552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.958552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.958552 (E_RNA)
where:
Base-Base interactions energy: -39.565
where: short stacking energy: -39.565
Base-Backbone interact. energy: -0.003
local terms energy: -54.390618
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -9.486
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -5.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -80.042916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.042916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.042916 (E_RNA)
where:
Base-Base interactions energy: -24.541
where: short stacking energy: -24.541
Base-Backbone interact. energy: -0.075
local terms energy: -55.427498
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -4.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -222.645753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.645753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.645753 (E_RNA)
where:
Base-Base interactions energy: -144.201
where: short stacking energy: -70.651
Base-Backbone interact. energy: -0.093
local terms energy: -78.351908
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -22.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -218.648939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.648939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.648939 (E_RNA)
where:
Base-Base interactions energy: -143.129
where: short stacking energy: -62.572
Base-Backbone interact. energy: -0.036
local terms energy: -75.483843
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -14.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -211.546948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.546948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.546948 (E_RNA)
where:
Base-Base interactions energy: -136.321
where: short stacking energy: -66.192
Base-Backbone interact. energy: -0.017
local terms energy: -75.209309
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -22.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -212.345010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.345010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.345010 (E_RNA)
where:
Base-Base interactions energy: -134.900
where: short stacking energy: -55.687
Base-Backbone interact. energy: -1.480
local terms energy: -75.964925
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -22.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -211.212816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.212816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.212816 (E_RNA)
where:
Base-Base interactions energy: -136.777
where: short stacking energy: -68.639
Base-Backbone interact. energy: -0.009
local terms energy: -74.427111
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -17.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -157.044832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.044832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.044832 (E_RNA)
where:
Base-Base interactions energy: -93.253
where: short stacking energy: -45.969
Base-Backbone interact. energy: -0.233
local terms energy: -63.559107
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -14.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -90.213870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.213870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.213870 (E_RNA)
where:
Base-Base interactions energy: -34.219
where: short stacking energy: -34.219
Base-Backbone interact. energy: -0.090
local terms energy: -55.905282
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -6.246
tors. eta vs tors. theta energy: -6.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -103.921666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.921666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.921666 (E_RNA)
where:
Base-Base interactions energy: -52.117
where: short stacking energy: -50.449
Base-Backbone interact. energy: -0.152
local terms energy: -51.652798
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -7.375
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -5.582
tors. eta vs tors. theta energy: -11.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -83.936774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.936774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.936774 (E_RNA)
where:
Base-Base interactions energy: -39.745
where: short stacking energy: -34.763
Base-Backbone interact. energy: -0.355
local terms energy: -43.836981
where:
bonds (distance) C4'-P energy: -9.039
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -5.190
tors. eta vs tors. theta energy: -3.497
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: 10
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -77.817923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.817923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.817923 (E_RNA)
where:
Base-Base interactions energy: -30.742
where: short stacking energy: -21.383
Base-Backbone interact. energy: -0.304
local terms energy: -46.771829
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -5.694
tors. eta vs tors. theta energy: 0.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -228.448771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.448771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.448771 (E_RNA)
where:
Base-Base interactions energy: -148.948
where: short stacking energy: -67.361
Base-Backbone interact. energy: 0.114
local terms energy: -79.615490
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -20.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -213.838895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.838895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.838895 (E_RNA)
where:
Base-Base interactions energy: -141.861
where: short stacking energy: -55.552
Base-Backbone interact. energy: -0.162
local terms energy: -71.815326
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -16.654
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -14.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -214.757603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.757603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.757603 (E_RNA)
where:
Base-Base interactions energy: -141.423
where: short stacking energy: -69.331
Base-Backbone interact. energy: -0.080
local terms energy: -73.255341
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -19.723
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: 4, replica: 9
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -209.140881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.140881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.140881 (E_RNA)
where:
Base-Base interactions energy: -143.740
where: short stacking energy: -56.203
Base-Backbone interact. energy: -0.434
local terms energy: -64.966788
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -4.549
tors. eta vs tors. theta energy: -17.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -200.774693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.774693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.774693 (E_RNA)
where:
Base-Base interactions energy: -129.999
where: short stacking energy: -61.981
Base-Backbone interact. energy: -0.553
local terms energy: -70.222479
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -19.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -118.058856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.058856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.058856 (E_RNA)
where:
Base-Base interactions energy: -60.586
where: short stacking energy: -39.682
Base-Backbone interact. energy: -0.095
local terms energy: -57.378149
where:
bonds (distance) C4'-P energy: -9.047
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -10.729
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: 7, replica: 3
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -94.641738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.641738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.641738 (E_RNA)
where:
Base-Base interactions energy: -38.645
where: short stacking energy: -38.645
Base-Backbone interact. energy: -0.015
local terms energy: -55.981676
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -4.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -87.602269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.602269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.602269 (E_RNA)
where:
Base-Base interactions energy: -35.310
where: short stacking energy: -30.391
Base-Backbone interact. energy: -0.029
local terms energy: -52.263712
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -8.806
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -1.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -82.462641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.462641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.462641 (E_RNA)
where:
Base-Base interactions energy: -46.391
where: short stacking energy: -33.562
Base-Backbone interact. energy: -0.027
local terms energy: -36.044817
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -8.293
flat angles C4'-P-C4' energy: -6.234
flat angles P-C4'-P energy: -3.831
tors. eta vs tors. theta energy: -5.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -75.481847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.481847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.481847 (E_RNA)
where:
Base-Base interactions energy: -25.930
where: short stacking energy: -12.555
Base-Backbone interact. energy: -0.340
local terms energy: -49.211780
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -12.004
flat angles P-C4'-P energy: -5.140
tors. eta vs tors. theta energy: 1.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -224.468434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.468434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.468434 (E_RNA)
where:
Base-Base interactions energy: -144.029
where: short stacking energy: -72.135
Base-Backbone interact. energy: -0.001
local terms energy: -80.438500
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -19.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -220.077628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.077628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.077628 (E_RNA)
where:
Base-Base interactions energy: -140.258
where: short stacking energy: -70.275
Base-Backbone interact. energy: -0.725
local terms energy: -79.095097
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -22.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -214.822247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.822247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.822247 (E_RNA)
where:
Base-Base interactions energy: -141.717
where: short stacking energy: -64.026
Base-Backbone interact. energy: -0.552
local terms energy: -72.553193
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -10.532
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -13.006
tors. eta vs tors. theta energy: -20.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -211.852375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.852375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.852375 (E_RNA)
where:
Base-Base interactions energy: -140.395
where: short stacking energy: -66.237
Base-Backbone interact. energy: -0.011
local terms energy: -71.446400
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -12.280
tors. eta vs tors. theta energy: -18.780
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: 5
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -186.076420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.076420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.076420 (E_RNA)
where:
Base-Base interactions energy: -122.407
where: short stacking energy: -57.568
Base-Backbone interact. energy: -0.010
local terms energy: -63.659480
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -14.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -107.798468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.798468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.798468 (E_RNA)
where:
Base-Base interactions energy: -47.287
where: short stacking energy: -43.080
Base-Backbone interact. energy: -0.527
local terms energy: -59.985169
where:
bonds (distance) C4'-P energy: -7.924
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -12.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -90.796625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.796625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.796625 (E_RNA)
where:
Base-Base interactions energy: -36.109
where: short stacking energy: -31.313
Base-Backbone interact. energy: -0.332
local terms energy: -54.355202
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -8.294
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -7.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -83.732561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.732561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.732561 (E_RNA)
where:
Base-Base interactions energy: -34.359
where: short stacking energy: -31.064
Base-Backbone interact. energy: -0.136
local terms energy: -49.237265
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -12.580
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -3.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -91.177186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.177186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.177186 (E_RNA)
where:
Base-Base interactions energy: -35.122
where: short stacking energy: -29.876
Base-Backbone interact. energy: 0.312
local terms energy: -56.367130
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -10.934
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -4.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -86.314290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.314290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.314290 (E_RNA)
where:
Base-Base interactions energy: -29.874
where: short stacking energy: -28.138
Base-Backbone interact. energy: -0.070
local terms energy: -56.370254
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -6.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -221.454357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.454357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.454357 (E_RNA)
where:
Base-Base interactions energy: -151.743
where: short stacking energy: -65.572
Base-Backbone interact. energy: -0.022
local terms energy: -69.689406
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -7.951
tors. eta vs tors. theta energy: -17.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -218.537704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.537704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.537704 (E_RNA)
where:
Base-Base interactions energy: -145.302
where: short stacking energy: -77.608
Base-Backbone interact. energy: -0.000
local terms energy: -73.235680
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -19.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -216.455582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.455582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.455582 (E_RNA)
where:
Base-Base interactions energy: -142.085
where: short stacking energy: -72.475
Base-Backbone interact. energy: -0.032
local terms energy: -74.339096
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -18.236
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -18.546
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: 6
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -206.814577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.814577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.814577 (E_RNA)
where:
Base-Base interactions energy: -137.603
where: short stacking energy: -57.322
Base-Backbone interact. energy: -0.289
local terms energy: -68.923101
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -13.598
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: 5
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -177.586364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.586364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.586364 (E_RNA)
where:
Base-Base interactions energy: -115.147
where: short stacking energy: -56.642
Base-Backbone interact. energy: -0.066
local terms energy: -62.373460
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -11.517
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -13.183
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: 6, replica: 4
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -96.066953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.066953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.066953 (E_RNA)
where:
Base-Base interactions energy: -44.348
where: short stacking energy: -34.917
Base-Backbone interact. energy: -0.542
local terms energy: -51.177470
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -11.028
flat angles P-C4'-P energy: -7.825
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: 7, replica: 7
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -132.308242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.308242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.308242 (E_RNA)
where:
Base-Base interactions energy: -75.652
where: short stacking energy: -45.625
Base-Backbone interact. energy: -0.661
local terms energy: -55.994922
where:
bonds (distance) C4'-P energy: -8.982
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -9.709
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: 8, replica: 10
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -96.483580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.483580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.483580 (E_RNA)
where:
Base-Base interactions energy: -36.446
where: short stacking energy: -36.446
Base-Backbone interact. energy: -0.560
local terms energy: -59.477383
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -6.595
tors. eta vs tors. theta energy: -8.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -83.655787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.655787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.655787 (E_RNA)
where:
Base-Base interactions energy: -28.597
where: short stacking energy: -24.743
Base-Backbone interact. energy: 2.171
local terms energy: -57.229773
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -3.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -69.494844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.494844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.494844 (E_RNA)
where:
Base-Base interactions energy: -19.017
where: short stacking energy: -18.797
Base-Backbone interact. energy: -0.018
local terms energy: -50.459073
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -9.015
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -1.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -222.126423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.126423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.126423 (E_RNA)
where:
Base-Base interactions energy: -146.829
where: short stacking energy: -62.284
Base-Backbone interact. energy: -1.194
local terms energy: -74.103683
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -20.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -220.043220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.043220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.043220 (E_RNA)
where:
Base-Base interactions energy: -141.759
where: short stacking energy: -73.253
Base-Backbone interact. energy: -0.003
local terms energy: -78.281008
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -21.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -214.877924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.877924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.877924 (E_RNA)
where:
Base-Base interactions energy: -144.626
where: short stacking energy: -56.288
Base-Backbone interact. energy: -0.110
local terms energy: -70.141509
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -16.061
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: 4, replica: 8
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -212.487641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.487641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.487641 (E_RNA)
where:
Base-Base interactions energy: -127.156
where: short stacking energy: -65.835
Base-Backbone interact. energy: -1.358
local terms energy: -83.973605
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -17.349
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -20.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -100.673953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.673953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.673953 (E_RNA)
where:
Base-Base interactions energy: -51.860
where: short stacking energy: -41.453
Base-Backbone interact. energy: 1.797
local terms energy: -50.610534
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -5.697
tors. eta vs tors. theta energy: -2.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -193.431005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.431005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.431005 (E_RNA)
where:
Base-Base interactions energy: -123.594
where: short stacking energy: -56.725
Base-Backbone interact. energy: -0.020
local terms energy: -69.817893
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -10.217
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: 7, replica: 7
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -139.476144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.476144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.476144 (E_RNA)
where:
Base-Base interactions energy: -81.929
where: short stacking energy: -36.938
Base-Backbone interact. energy: -1.861
local terms energy: -55.686107
where:
bonds (distance) C4'-P energy: -9.040
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -8.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -110.462085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.462085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.462085 (E_RNA)
where:
Base-Base interactions energy: -52.082
where: short stacking energy: -44.594
Base-Backbone interact. energy: -0.063
local terms energy: -58.317103
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -8.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -83.701155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.701155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.701155 (E_RNA)
where:
Base-Base interactions energy: -40.324
where: short stacking energy: -32.006
Base-Backbone interact. energy: -0.839
local terms energy: -42.537515
where:
bonds (distance) C4'-P energy: -8.125
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -6.160
tors. eta vs tors. theta energy: -1.537
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: 10, replica: 3
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -85.332030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.332030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.332030 (E_RNA)
where:
Base-Base interactions energy: -40.052
where: short stacking energy: -21.192
Base-Backbone interact. energy: -1.910
local terms energy: -43.369825
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -9.496
flat angles C4'-P-C4' energy: -9.562
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -1.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -223.498351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.498351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.498351 (E_RNA)
where:
Base-Base interactions energy: -143.868
where: short stacking energy: -73.770
Base-Backbone interact. energy: -0.118
local terms energy: -79.512671
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -20.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -213.818720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.818720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.818720 (E_RNA)
where:
Base-Base interactions energy: -146.167
where: short stacking energy: -52.084
Base-Backbone interact. energy: -0.151
local terms energy: -67.500737
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -11.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -219.172673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.172673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.172673 (E_RNA)
where:
Base-Base interactions energy: -140.705
where: short stacking energy: -61.176
Base-Backbone interact. energy: -0.244
local terms energy: -78.223843
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -17.787
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -17.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -214.784692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.784692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.784692 (E_RNA)
where:
Base-Base interactions energy: -141.580
where: short stacking energy: -71.310
Base-Backbone interact. energy: -0.920
local terms energy: -72.284845
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -19.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -127.507698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.507698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.507698 (E_RNA)
where:
Base-Base interactions energy: -72.406
where: short stacking energy: -41.416
Base-Backbone interact. energy: -0.038
local terms energy: -55.063709
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -6.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -141.343569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.343569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.343569 (E_RNA)
where:
Base-Base interactions energy: -81.565
where: short stacking energy: -40.373
Base-Backbone interact. energy: 2.114
local terms energy: -61.892128
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -6.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -167.347753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.347753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.347753 (E_RNA)
where:
Base-Base interactions energy: -105.657
where: short stacking energy: -53.594
Base-Backbone interact. energy: -0.240
local terms energy: -61.450265
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -10.701
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: 8, replica: 1
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -85.947248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.947248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.947248 (E_RNA)
where:
Base-Base interactions energy: -37.011
where: short stacking energy: -34.197
Base-Backbone interact. energy: -0.143
local terms energy: -48.793483
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -4.226
tors. eta vs tors. theta energy: -2.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -93.749950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.749950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.749950 (E_RNA)
where:
Base-Base interactions energy: -43.403
where: short stacking energy: -21.665
Base-Backbone interact. energy: -0.148
local terms energy: -50.198937
where:
bonds (distance) C4'-P energy: -9.718
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -3.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -79.795536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.795536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.795536 (E_RNA)
where:
Base-Base interactions energy: -27.925
where: short stacking energy: -19.850
Base-Backbone interact. energy: -0.228
local terms energy: -51.642339
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -6.444
tors. eta vs tors. theta energy: -4.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -217.059954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.059954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.059954 (E_RNA)
where:
Base-Base interactions energy: -144.610
where: short stacking energy: -54.755
Base-Backbone interact. energy: -0.428
local terms energy: -72.021414
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -14.855
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: 2, replica: 9
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -221.836822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.836822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.836822 (E_RNA)
where:
Base-Base interactions energy: -146.774
where: short stacking energy: -64.361
Base-Backbone interact. energy: -0.100
local terms energy: -74.962372
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -17.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -216.578229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.578229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.578229 (E_RNA)
where:
Base-Base interactions energy: -142.153
where: short stacking energy: -66.456
Base-Backbone interact. energy: -0.161
local terms energy: -74.264252
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -18.606
flat angles P-C4'-P energy: -5.406
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: 4, replica: 2
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -198.554125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.554125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.554125 (E_RNA)
where:
Base-Base interactions energy: -127.194
where: short stacking energy: -62.004
Base-Backbone interact. energy: -0.008
local terms energy: -71.352523
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -16.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -151.738784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.738784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.738784 (E_RNA)
where:
Base-Base interactions energy: -95.520
where: short stacking energy: -51.263
Base-Backbone interact. energy: 2.601
local terms energy: -58.819418
where:
bonds (distance) C4'-P energy: -8.989
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -5.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -126.073892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.073892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.073892 (E_RNA)
where:
Base-Base interactions energy: -80.227
where: short stacking energy: -27.835
Base-Backbone interact. energy: 0.800
local terms energy: -46.647005
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -3.055
tors. eta vs tors. theta energy: -2.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -145.708863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.708863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.708863 (E_RNA)
where:
Base-Base interactions energy: -83.799
where: short stacking energy: -34.237
Base-Backbone interact. energy: -0.320
local terms energy: -61.590178
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -11.144
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: 8, replica: 1
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -91.868605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.868605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.868605 (E_RNA)
where:
Base-Base interactions energy: -43.226
where: short stacking energy: -34.360
Base-Backbone interact. energy: -0.003
local terms energy: -48.639383
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -10.068
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: -3.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -81.848901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.848901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.848901 (E_RNA)
where:
Base-Base interactions energy: -34.116
where: short stacking energy: -34.116
Base-Backbone interact. energy: -0.094
local terms energy: -47.639462
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -9.304
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -4.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -89.367410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.367410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.367410 (E_RNA)
where:
Base-Base interactions energy: -44.169
where: short stacking energy: -22.141
Base-Backbone interact. energy: -0.596
local terms energy: -44.602541
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -3.698
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: 1, replica: 6
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -218.114987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.114987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.114987 (E_RNA)
where:
Base-Base interactions energy: -149.450
where: short stacking energy: -56.835
Base-Backbone interact. energy: -0.763
local terms energy: -67.901315
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -17.118
flat angles C4'-P-C4' energy: -7.594
flat angles P-C4'-P energy: -12.838
tors. eta vs tors. theta energy: -15.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -214.984988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.984988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.984988 (E_RNA)
where:
Base-Base interactions energy: -144.024
where: short stacking energy: -52.983
Base-Backbone interact. energy: -0.072
local terms energy: -70.889136
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -9.667
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: 3, replica: 9
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -222.541106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.541106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.541106 (E_RNA)
where:
Base-Base interactions energy: -147.316
where: short stacking energy: -69.608
Base-Backbone interact. energy: -0.065
local terms energy: -75.160498
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -19.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -203.123339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.123339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.123339 (E_RNA)
where:
Base-Base interactions energy: -126.279
where: short stacking energy: -48.028
Base-Backbone interact. energy: -0.951
local terms energy: -75.893337
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -14.216
tors. eta vs tors. theta energy: -16.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -139.667627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.667627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.667627 (E_RNA)
where:
Base-Base interactions energy: -82.834
where: short stacking energy: -46.072
Base-Backbone interact. energy: 0.916
local terms energy: -57.749742
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -10.170
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -12.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -155.107289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.107289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.107289 (E_RNA)
where:
Base-Base interactions energy: -96.604
where: short stacking energy: -35.086
Base-Backbone interact. energy: -0.204
local terms energy: -58.299968
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -3.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -106.598423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.598423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.598423 (E_RNA)
where:
Base-Base interactions energy: -57.254
where: short stacking energy: -38.698
Base-Backbone interact. energy: -0.701
local terms energy: -48.642765
where:
bonds (distance) C4'-P energy: -3.682
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -10.900
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: 8, replica: 1
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -82.576100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.576100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.576100 (E_RNA)
where:
Base-Base interactions energy: -31.872
where: short stacking energy: -31.120
Base-Backbone interact. energy: -0.005
local terms energy: -50.698923
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -2.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -84.232629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.232629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.232629 (E_RNA)
where:
Base-Base interactions energy: -37.436
where: short stacking energy: -31.626
Base-Backbone interact. energy: 0.412
local terms energy: -47.208952
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -11.621
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: -0.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -72.440712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.440712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.440712 (E_RNA)
where:
Base-Base interactions energy: -25.569
where: short stacking energy: -25.312
Base-Backbone interact. energy: -0.252
local terms energy: -46.620307
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -13.854
flat angles C4'-P-C4' energy: -9.289
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -3.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -220.220131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.220131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.220131 (E_RNA)
where:
Base-Base interactions energy: -155.109
where: short stacking energy: -60.846
Base-Backbone interact. energy: -1.741
local terms energy: -63.369609
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -10.242
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -15.741
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: 2, replica: 6
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -212.385280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.385280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.385280 (E_RNA)
where:
Base-Base interactions energy: -137.031
where: short stacking energy: -54.027
Base-Backbone interact. energy: -2.427
local terms energy: -72.927244
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -10.028
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: 3, replica: 9
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -209.523506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.523506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.523506 (E_RNA)
where:
Base-Base interactions energy: -138.389
where: short stacking energy: -65.182
Base-Backbone interact. energy: -0.003
local terms energy: -71.131674
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -15.809
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: 2
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -215.798563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.798563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.798563 (E_RNA)
where:
Base-Base interactions energy: -140.448
where: short stacking energy: -61.662
Base-Backbone interact. energy: -0.140
local terms energy: -75.209911
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -9.904
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: 5, replica: 5
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -155.313412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.313412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.313412 (E_RNA)
where:
Base-Base interactions energy: -95.396
where: short stacking energy: -39.930
Base-Backbone interact. energy: 0.349
local terms energy: -60.266384
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -8.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -135.442833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.442833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.442833 (E_RNA)
where:
Base-Base interactions energy: -74.662
where: short stacking energy: -42.712
Base-Backbone interact. energy: -0.170
local terms energy: -60.611503
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -12.000
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -11.370
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: 1
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -93.576263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.576263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.576263 (E_RNA)
where:
Base-Base interactions energy: -34.375
where: short stacking energy: -30.357
Base-Backbone interact. energy: -0.191
local terms energy: -59.009973
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -9.909
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: 8, replica: 4
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -91.377027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.377027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.377027 (E_RNA)
where:
Base-Base interactions energy: -33.852
where: short stacking energy: -20.440
Base-Backbone interact. energy: -0.223
local terms energy: -57.302161
where:
bonds (distance) C4'-P energy: -14.788
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -11.050
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -3.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -86.282453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.282453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.282453 (E_RNA)
where:
Base-Base interactions energy: -30.734
where: short stacking energy: -30.061
Base-Backbone interact. energy: -1.035
local terms energy: -54.513649
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -3.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -73.916966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.916966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.916966 (E_RNA)
where:
Base-Base interactions energy: -22.627
where: short stacking energy: -22.627
Base-Backbone interact. energy: -0.140
local terms energy: -51.150160
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -9.624
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -4.144
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: 8
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -226.678634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.678634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.678634 (E_RNA)
where:
Base-Base interactions energy: -154.693
where: short stacking energy: -49.276
Base-Backbone interact. energy: -0.378
local terms energy: -71.608413
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -16.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -223.134867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.134867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.134867 (E_RNA)
where:
Base-Base interactions energy: -146.877
where: short stacking energy: -72.502
Base-Backbone interact. energy: -0.001
local terms energy: -76.256784
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -16.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -209.841862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.841862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.841862 (E_RNA)
where:
Base-Base interactions energy: -140.771
where: short stacking energy: -53.495
Base-Backbone interact. energy: -1.474
local terms energy: -67.596486
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -12.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -208.415457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.415457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.415457 (E_RNA)
where:
Base-Base interactions energy: -132.783
where: short stacking energy: -48.653
Base-Backbone interact. energy: -1.876
local terms energy: -73.756280
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -12.013
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: 5, replica: 5
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -161.740167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.740167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.740167 (E_RNA)
where:
Base-Base interactions energy: -96.548
where: short stacking energy: -46.919
Base-Backbone interact. energy: -0.049
local terms energy: -65.143409
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -12.059
tors. eta vs tors. theta energy: -8.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -159.554131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.554131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.554131 (E_RNA)
where:
Base-Base interactions energy: -103.844
where: short stacking energy: -46.486
Base-Backbone interact. energy: -0.040
local terms energy: -55.670371
where:
bonds (distance) C4'-P energy: -9.329
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: -8.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -87.440578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.440578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.440578 (E_RNA)
where:
Base-Base interactions energy: -33.045
where: short stacking energy: -30.215
Base-Backbone interact. energy: -0.645
local terms energy: -53.750155
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -8.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -84.322524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.322524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.322524 (E_RNA)
where:
Base-Base interactions energy: -29.998
where: short stacking energy: -29.998
Base-Backbone interact. energy: -0.084
local terms energy: -54.239996
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -6.069
tors. eta vs tors. theta energy: -1.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -121.438235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.438235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.438235 (E_RNA)
where:
Base-Base interactions energy: -70.563
where: short stacking energy: -40.012
Base-Backbone interact. energy: -0.090
local terms energy: -50.785330
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -4.608
tors. eta vs tors. theta energy: -4.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -86.671742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.671742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.671742 (E_RNA)
where:
Base-Base interactions energy: -38.382
where: short stacking energy: -36.125
Base-Backbone interact. energy: -0.245
local terms energy: -48.044773
where:
bonds (distance) C4'-P energy: -8.237
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -6.868
tors. eta vs tors. theta energy: -5.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -219.058797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.058797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.058797 (E_RNA)
where:
Base-Base interactions energy: -151.327
where: short stacking energy: -51.750
Base-Backbone interact. energy: -0.506
local terms energy: -67.225499
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -8.734
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -9.537
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: 9
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -220.482514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.482514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.482514 (E_RNA)
where:
Base-Base interactions energy: -146.626
where: short stacking energy: -71.751
Base-Backbone interact. energy: -0.002
local terms energy: -73.854945
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -19.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -216.848325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.848325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.848325 (E_RNA)
where:
Base-Base interactions energy: -142.493
where: short stacking energy: -69.848
Base-Backbone interact. energy: -0.190
local terms energy: -74.165202
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -19.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -209.378625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.378625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.378625 (E_RNA)
where:
Base-Base interactions energy: -144.236
where: short stacking energy: -57.355
Base-Backbone interact. energy: -0.243
local terms energy: -64.900053
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -10.872
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -14.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -182.410408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.410408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.410408 (E_RNA)
where:
Base-Base interactions energy: -122.004
where: short stacking energy: -52.321
Base-Backbone interact. energy: -0.286
local terms energy: -60.120220
where:
bonds (distance) C4'-P energy: -9.321
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -13.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -144.340294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.340294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.340294 (E_RNA)
where:
Base-Base interactions energy: -87.422
where: short stacking energy: -43.706
Base-Backbone interact. energy: -0.253
local terms energy: -56.665217
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -6.482
tors. eta vs tors. theta energy: -5.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -98.649569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.649569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.649569 (E_RNA)
where:
Base-Base interactions energy: -41.998
where: short stacking energy: -29.158
Base-Backbone interact. energy: -0.082
local terms energy: -56.569625
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -4.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -96.788272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.788272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.788272 (E_RNA)
where:
Base-Base interactions energy: -38.702
where: short stacking energy: -35.297
Base-Backbone interact. energy: -0.692
local terms energy: -57.394775
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -5.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -89.535972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.535972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.535972 (E_RNA)
where:
Base-Base interactions energy: -41.405
where: short stacking energy: -30.224
Base-Backbone interact. energy: -0.010
local terms energy: -48.120568
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -10.509
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -6.901
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: 10
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -86.062718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.062718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.062718 (E_RNA)
where:
Base-Base interactions energy: -42.257
where: short stacking energy: -32.002
Base-Backbone interact. energy: -0.111
local terms energy: -43.694927
where:
bonds (distance) C4'-P energy: -8.766
bonds (distance) P-C4' energy: -11.801
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -3.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -213.484911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.484911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.484911 (E_RNA)
where:
Base-Base interactions energy: -140.440
where: short stacking energy: -54.635
Base-Backbone interact. energy: -0.083
local terms energy: -72.961382
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -18.511
flat angles P-C4'-P energy: -10.963
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: 2, replica: 2
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -215.480949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.480949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.480949 (E_RNA)
where:
Base-Base interactions energy: -144.569
where: short stacking energy: -63.316
Base-Backbone interact. energy: -0.002
local terms energy: -70.909631
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -16.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -205.788878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.788878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.788878 (E_RNA)
where:
Base-Base interactions energy: -135.380
where: short stacking energy: -53.052
Base-Backbone interact. energy: -0.182
local terms energy: -70.227177
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -5.335
tors. eta vs tors. theta energy: -16.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -208.028227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.028227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.028227 (E_RNA)
where:
Base-Base interactions energy: -138.838
where: short stacking energy: -52.606
Base-Backbone interact. energy: -0.169
local terms energy: -69.021691
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -10.453
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: 5, replica: 5
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -188.052728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.052728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.052728 (E_RNA)
where:
Base-Base interactions energy: -125.393
where: short stacking energy: -54.239
Base-Backbone interact. energy: -0.125
local terms energy: -62.534813
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -6.410
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: 6, replica: 7
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -162.215985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.215985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.215985 (E_RNA)
where:
Base-Base interactions energy: -95.426
where: short stacking energy: -51.309
Base-Backbone interact. energy: -1.169
local terms energy: -65.620927
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -12.630
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: 7, replica: 3
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -89.816211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.816211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.816211 (E_RNA)
where:
Base-Base interactions energy: -34.509
where: short stacking energy: -22.199
Base-Backbone interact. energy: -0.080
local terms energy: -55.227982
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: 3.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -93.442304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.442304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.442304 (E_RNA)
where:
Base-Base interactions energy: -42.523
where: short stacking energy: -35.317
Base-Backbone interact. energy: -0.440
local terms energy: -50.479153
where:
bonds (distance) C4'-P energy: -5.668
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -5.329
tors. eta vs tors. theta energy: -9.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -108.831937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.831937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.831937 (E_RNA)
where:
Base-Base interactions energy: -59.722
where: short stacking energy: -43.570
Base-Backbone interact. energy: -0.315
local terms energy: -48.795307
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -9.654
flat angles P-C4'-P energy: -4.452
tors. eta vs tors. theta energy: -7.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -77.231836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.231836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.231836 (E_RNA)
where:
Base-Base interactions energy: -34.721
where: short stacking energy: -11.955
Base-Backbone interact. energy: -0.149
local terms energy: -42.362140
where:
bonds (distance) C4'-P energy: -10.824
bonds (distance) P-C4' energy: -12.135
flat angles C4'-P-C4' energy: -8.193
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -2.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -220.630071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.630071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.630071 (E_RNA)
where:
Base-Base interactions energy: -144.542
where: short stacking energy: -67.319
Base-Backbone interact. energy: -0.571
local terms energy: -75.517120
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -20.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -213.372667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.372667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.372667 (E_RNA)
where:
Base-Base interactions energy: -140.636
where: short stacking energy: -65.555
Base-Backbone interact. energy: 0.044
local terms energy: -72.780756
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -19.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -215.790526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.790526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.790526 (E_RNA)
where:
Base-Base interactions energy: -139.218
where: short stacking energy: -68.266
Base-Backbone interact. energy: -0.076
local terms energy: -76.496655
where:
bonds (distance) C4'-P energy: -9.208
bonds (distance) P-C4' energy: -17.412
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -21.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -211.323786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.323786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.323786 (E_RNA)
where:
Base-Base interactions energy: -137.119
where: short stacking energy: -52.512
Base-Backbone interact. energy: 0.588
local terms energy: -74.792825
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -11.875
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: 5, replica: 7
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -159.152034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.152034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.152034 (E_RNA)
where:
Base-Base interactions energy: -95.338
where: short stacking energy: -50.564
Base-Backbone interact. energy: -0.018
local terms energy: -63.796816
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -8.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -161.422948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.422948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.422948 (E_RNA)
where:
Base-Base interactions energy: -105.855
where: short stacking energy: -54.700
Base-Backbone interact. energy: -0.225
local terms energy: -55.342299
where:
bonds (distance) C4'-P energy: -7.222
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -13.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -99.033279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.033279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.033279 (E_RNA)
where:
Base-Base interactions energy: -51.917
where: short stacking energy: -40.434
Base-Backbone interact. energy: -0.116
local terms energy: -46.999763
where:
bonds (distance) C4'-P energy: -10.307
bonds (distance) P-C4' energy: -11.458
flat angles C4'-P-C4' energy: -9.891
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -6.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -96.703689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.703689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.703689 (E_RNA)
where:
Base-Base interactions energy: -40.403
where: short stacking energy: -34.740
Base-Backbone interact. energy: -0.171
local terms energy: -56.130326
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: -5.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -100.134575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.134575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.134575 (E_RNA)
where:
Base-Base interactions energy: -42.898
where: short stacking energy: -25.836
Base-Backbone interact. energy: -0.406
local terms energy: -56.830078
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -4.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -93.031180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.031180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.031180 (E_RNA)
where:
Base-Base interactions energy: -46.002
where: short stacking energy: -46.002
Base-Backbone interact. energy: 2.111
local terms energy: -49.140234
where:
bonds (distance) C4'-P energy: -7.984
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -2.860
tors. eta vs tors. theta energy: -11.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -222.169522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.169522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.169522 (E_RNA)
where:
Base-Base interactions energy: -144.096
where: short stacking energy: -68.824
Base-Backbone interact. energy: -0.001
local terms energy: -78.071736
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -10.998
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: 2, replica: 6
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -226.857588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.857588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.857588 (E_RNA)
where:
Base-Base interactions energy: -146.958
where: short stacking energy: -71.420
Base-Backbone interact. energy: -0.002
local terms energy: -79.898081
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -19.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -215.911543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.911543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.911543 (E_RNA)
where:
Base-Base interactions energy: -140.226
where: short stacking energy: -62.190
Base-Backbone interact. energy: -0.131
local terms energy: -75.554555
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -19.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -210.615779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.615779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.615779 (E_RNA)
where:
Base-Base interactions energy: -139.318
where: short stacking energy: -56.124
Base-Backbone interact. energy: -0.008
local terms energy: -71.289254
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -16.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -178.810467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.810467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.810467 (E_RNA)
where:
Base-Base interactions energy: -107.587
where: short stacking energy: -49.587
Base-Backbone interact. energy: -0.525
local terms energy: -70.698652
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -13.911
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: 6, replica: 5
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -149.717621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.717621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.717621 (E_RNA)
where:
Base-Base interactions energy: -90.125
where: short stacking energy: -43.588
Base-Backbone interact. energy: -0.184
local terms energy: -59.408650
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -10.115
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: 7, replica: 3
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -98.508907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.508907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.508907 (E_RNA)
where:
Base-Base interactions energy: -57.910
where: short stacking energy: -24.281
Base-Backbone interact. energy: -0.181
local terms energy: -40.417583
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -11.864
flat angles C4'-P-C4' energy: -10.051
flat angles P-C4'-P energy: -6.870
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: 8, replica: 1
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -84.166991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.166991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.166991 (E_RNA)
where:
Base-Base interactions energy: -36.814
where: short stacking energy: -26.079
Base-Backbone interact. energy: -0.293
local terms energy: -47.059934
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: 3.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -97.316428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.316428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.316428 (E_RNA)
where:
Base-Base interactions energy: -43.605
where: short stacking energy: -33.460
Base-Backbone interact. energy: -0.007
local terms energy: -53.705176
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -13.696
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -1.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -71.644213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.644213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.644213 (E_RNA)
where:
Base-Base interactions energy: -24.782
where: short stacking energy: -24.082
Base-Backbone interact. energy: -0.235
local terms energy: -46.627373
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -11.409
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -6.262
tors. eta vs tors. theta energy: -2.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -224.304499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.304499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.304499 (E_RNA)
where:
Base-Base interactions energy: -146.415
where: short stacking energy: -66.995
Base-Backbone interact. energy: -0.055
local terms energy: -77.834089
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -13.810
tors. eta vs tors. theta energy: -21.741
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: 2, replica: 6
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -217.284270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.284270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.284270 (E_RNA)
where:
Base-Base interactions energy: -139.891
where: short stacking energy: -66.231
Base-Backbone interact. energy: 0.309
local terms energy: -77.702437
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -19.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -213.511285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.511285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.511285 (E_RNA)
where:
Base-Base interactions energy: -144.426
where: short stacking energy: -66.032
Base-Backbone interact. energy: -0.066
local terms energy: -69.019167
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -13.932
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -7.042
tors. eta vs tors. theta energy: -17.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -200.966544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.966544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.966544 (E_RNA)
where:
Base-Base interactions energy: -135.254
where: short stacking energy: -65.156
Base-Backbone interact. energy: -0.005
local terms energy: -65.707956
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: -18.062
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: 392
Temperature: 1.100000
Total energy: -173.096231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.096231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.096231 (E_RNA)
where:
Base-Base interactions energy: -101.932
where: short stacking energy: -54.468
Base-Backbone interact. energy: -0.707
local terms energy: -70.457404
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -10.693
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -18.169
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: 5
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -151.760265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.760265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.760265 (E_RNA)
where:
Base-Base interactions energy: -83.972
where: short stacking energy: -47.125
Base-Backbone interact. energy: -0.188
local terms energy: -67.599334
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -10.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -93.634024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.634024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.634024 (E_RNA)
where:
Base-Base interactions energy: -40.970
where: short stacking energy: -30.242
Base-Backbone interact. energy: -0.511
local terms energy: -52.153248
where:
bonds (distance) C4'-P energy: -11.868
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -8.762
flat angles P-C4'-P energy: -11.888
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: 8, replica: 1
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -79.150287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.150287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.150287 (E_RNA)
where:
Base-Base interactions energy: -34.352
where: short stacking energy: -34.164
Base-Backbone interact. energy: -0.498
local terms energy: -44.300106
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -8.281
flat angles C4'-P-C4' energy: -9.552
flat angles P-C4'-P energy: -6.570
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: 9, replica: 4
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -82.702684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.702684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.702684 (E_RNA)
where:
Base-Base interactions energy: -31.619
where: short stacking energy: -13.657
Base-Backbone interact. energy: -0.275
local terms energy: -50.808242
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -2.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -75.680026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.680026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.680026 (E_RNA)
where:
Base-Base interactions energy: -29.165
where: short stacking energy: -29.165
Base-Backbone interact. energy: 2.302
local terms energy: -48.817624
where:
bonds (distance) C4'-P energy: -9.432
bonds (distance) P-C4' energy: -12.347
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -6.299
tors. eta vs tors. theta energy: -4.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -227.460299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.460299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.460299 (E_RNA)
where:
Base-Base interactions energy: -143.811
where: short stacking energy: -68.813
Base-Backbone interact. energy: -0.551
local terms energy: -83.098259
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -18.884
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -13.272
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: 8
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -218.226793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.226793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.226793 (E_RNA)
where:
Base-Base interactions energy: -139.537
where: short stacking energy: -59.209
Base-Backbone interact. energy: -0.029
local terms energy: -78.660232
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -11.570
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: 6
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -219.611020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.611020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.611020 (E_RNA)
where:
Base-Base interactions energy: -147.762
where: short stacking energy: -50.942
Base-Backbone interact. energy: -2.099
local terms energy: -69.750230
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -15.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -210.028975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.028975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.028975 (E_RNA)
where:
Base-Base interactions energy: -139.672
where: short stacking energy: -66.954
Base-Backbone interact. energy: -0.001
local terms energy: -70.355656
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -20.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -147.419315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.419315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.419315 (E_RNA)
where:
Base-Base interactions energy: -84.028
where: short stacking energy: -45.452
Base-Backbone interact. energy: -0.056
local terms energy: -63.335598
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -8.885
flat angles P-C4'-P energy: -10.521
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: 6, replica: 5
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -159.384602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.384602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.384602 (E_RNA)
where:
Base-Base interactions energy: -105.921
where: short stacking energy: -41.637
Base-Backbone interact. energy: -0.913
local terms energy: -52.549891
where:
bonds (distance) C4'-P energy: -9.896
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -6.992
tors. eta vs tors. theta energy: -6.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -105.032688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.032688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.032688 (E_RNA)
where:
Base-Base interactions energy: -38.585
where: short stacking energy: -38.585
Base-Backbone interact. energy: -0.103
local terms energy: -66.344674
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -11.164
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: 4
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -88.016337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.016337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.016337 (E_RNA)
where:
Base-Base interactions energy: -39.054
where: short stacking energy: -34.727
Base-Backbone interact. energy: 1.102
local terms energy: -50.064015
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -2.605
tors. eta vs tors. theta energy: -6.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -93.225541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.225541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.225541 (E_RNA)
where:
Base-Base interactions energy: -43.033
where: short stacking energy: -40.593
Base-Backbone interact. energy: -0.008
local terms energy: -50.185005
where:
bonds (distance) C4'-P energy: -3.856
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -11.181
flat angles P-C4'-P energy: -7.704
tors. eta vs tors. theta energy: -10.373
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: 10
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -83.058955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.058955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.058955 (E_RNA)
where:
Base-Base interactions energy: -26.661
where: short stacking energy: -23.847
Base-Backbone interact. energy: 0.594
local terms energy: -56.991744
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: -3.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -224.057785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.057785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.057785 (E_RNA)
where:
Base-Base interactions energy: -147.045
where: short stacking energy: -73.879
Base-Backbone interact. energy: -0.265
local terms energy: -76.747764
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -20.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -218.791402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.791402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.791402 (E_RNA)
where:
Base-Base interactions energy: -144.608
where: short stacking energy: -58.348
Base-Backbone interact. energy: -0.640
local terms energy: -73.543097
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -18.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -216.364598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.364598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.364598 (E_RNA)
where:
Base-Base interactions energy: -141.699
where: short stacking energy: -66.227
Base-Backbone interact. energy: -0.121
local terms energy: -74.545429
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -21.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -206.158290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.158290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.158290 (E_RNA)
where:
Base-Base interactions energy: -139.626
where: short stacking energy: -56.752
Base-Backbone interact. energy: -0.470
local terms energy: -66.062283
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -18.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -166.600996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.600996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.600996 (E_RNA)
where:
Base-Base interactions energy: -105.783
where: short stacking energy: -58.816
Base-Backbone interact. energy: -0.006
local terms energy: -60.811991
where:
bonds (distance) C4'-P energy: -9.698
bonds (distance) P-C4' energy: -10.988
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -14.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -170.381080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.381080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.381080 (E_RNA)
where:
Base-Base interactions energy: -104.788
where: short stacking energy: -49.121
Base-Backbone interact. energy: -0.315
local terms energy: -65.278066
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -6.151
tors. eta vs tors. theta energy: -13.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -95.159070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.159070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.159070 (E_RNA)
where:
Base-Base interactions energy: -38.833
where: short stacking energy: -34.636
Base-Backbone interact. energy: -0.072
local terms energy: -56.254267
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -12.653
flat angles C4'-P-C4' energy: -11.112
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -5.176
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: 3
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -85.866445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.866445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.866445 (E_RNA)
where:
Base-Base interactions energy: -38.822
where: short stacking energy: -21.899
Base-Backbone interact. energy: -0.210
local terms energy: -46.834963
where:
bonds (distance) C4'-P energy: -10.328
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -9.256
flat angles P-C4'-P energy: -9.379
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: 9, replica: 10
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -77.628600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.628600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.628600 (E_RNA)
where:
Base-Base interactions energy: -28.867
where: short stacking energy: -25.457
Base-Backbone interact. energy: 0.422
local terms energy: -49.183894
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -1.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -82.290886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.290886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.290886 (E_RNA)
where:
Base-Base interactions energy: -32.221
where: short stacking energy: -23.046
Base-Backbone interact. energy: -0.557
local terms energy: -49.512763
where:
bonds (distance) C4'-P energy: -17.206
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -7.189
tors. eta vs tors. theta energy: -2.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -220.071477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.071477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.071477 (E_RNA)
where:
Base-Base interactions energy: -149.053
where: short stacking energy: -64.205
Base-Backbone interact. energy: -0.849
local terms energy: -70.170022
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -10.316
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -20.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -208.538742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.538742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.538742 (E_RNA)
where:
Base-Base interactions energy: -142.586
where: short stacking energy: -59.154
Base-Backbone interact. energy: -1.276
local terms energy: -64.676890
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -6.731
tors. eta vs tors. theta energy: -16.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -218.967802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.967802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.967802 (E_RNA)
where:
Base-Base interactions energy: -157.155
where: short stacking energy: -69.216
Base-Backbone interact. energy: -0.969
local terms energy: -60.843391
where:
bonds (distance) C4'-P energy: -9.523
bonds (distance) P-C4' energy: -3.594
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -20.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -210.634215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.634215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.634215 (E_RNA)
where:
Base-Base interactions energy: -141.246
where: short stacking energy: -62.510
Base-Backbone interact. energy: -0.052
local terms energy: -69.336869
where:
bonds (distance) C4'-P energy: -8.953
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -20.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -167.032079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.032079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.032079 (E_RNA)
where:
Base-Base interactions energy: -96.185
where: short stacking energy: -50.541
Base-Backbone interact. energy: -0.119
local terms energy: -70.728105
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -14.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -157.646904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.646904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.646904 (E_RNA)
where:
Base-Base interactions energy: -96.479
where: short stacking energy: -48.612
Base-Backbone interact. energy: -0.020
local terms energy: -61.147996
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -9.196
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: 7, replica: 4
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -105.419895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.419895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.419895 (E_RNA)
where:
Base-Base interactions energy: -43.983
where: short stacking energy: -43.983
Base-Backbone interact. energy: -0.101
local terms energy: -61.335262
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -10.542
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -10.845
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: 395
Temperature: 1.250000
Total energy: -97.865136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.865136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.865136 (E_RNA)
where:
Base-Base interactions energy: -41.019
where: short stacking energy: -41.219
Base-Backbone interact. energy: 0.030
local terms energy: -56.876023
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -4.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -80.178485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.178485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.178485 (E_RNA)
where:
Base-Base interactions energy: -27.956
where: short stacking energy: -27.956
Base-Backbone interact. energy: -0.027
local terms energy: -52.194819
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -12.841
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: 0.421
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: 10, replica: 1
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -77.517416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.517416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.517416 (E_RNA)
where:
Base-Base interactions energy: -28.334
where: short stacking energy: -28.050
Base-Backbone interact. energy: -1.182
local terms energy: -48.001511
where:
bonds (distance) C4'-P energy: -10.597
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -6.815
tors. eta vs tors. theta energy: -1.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -216.737638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.737638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.737638 (E_RNA)
where:
Base-Base interactions energy: -149.812
where: short stacking energy: -56.589
Base-Backbone interact. energy: -0.827
local terms energy: -66.098426
where:
bonds (distance) C4'-P energy: -7.955
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -11.329
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -19.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -216.017864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.017864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.017864 (E_RNA)
where:
Base-Base interactions energy: -135.384
where: short stacking energy: -62.646
Base-Backbone interact. energy: -0.108
local terms energy: -80.525342
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -20.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -198.705823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.705823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.705823 (E_RNA)
where:
Base-Base interactions energy: -141.146
where: short stacking energy: -62.875
Base-Backbone interact. energy: 0.667
local terms energy: -58.226950
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -3.266
tors. eta vs tors. theta energy: -15.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -192.422357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.422357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.422357 (E_RNA)
where:
Base-Base interactions energy: -119.279
where: short stacking energy: -55.928
Base-Backbone interact. energy: -0.003
local terms energy: -73.139961
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -11.972
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: 5
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -184.149293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.149293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.149293 (E_RNA)
where:
Base-Base interactions energy: -112.347
where: short stacking energy: -64.453
Base-Backbone interact. energy: -0.210
local terms energy: -71.592335
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -19.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -155.755810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.755810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.755810 (E_RNA)
where:
Base-Base interactions energy: -89.547
where: short stacking energy: -51.257
Base-Backbone interact. energy: -0.042
local terms energy: -66.167133
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -8.643
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: 10
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -99.605450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.605450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.605450 (E_RNA)
where:
Base-Base interactions energy: -53.986
where: short stacking energy: -35.716
Base-Backbone interact. energy: -0.047
local terms energy: -45.572896
where:
bonds (distance) C4'-P energy: -10.558
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -8.992
flat angles P-C4'-P energy: -3.085
tors. eta vs tors. theta energy: -4.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -87.971185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.971185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.971185 (E_RNA)
where:
Base-Base interactions energy: -29.836
where: short stacking energy: -29.836
Base-Backbone interact. energy: -0.197
local terms energy: -57.937600
where:
bonds (distance) C4'-P energy: -9.912
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -10.729
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: 3
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -88.956318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.956318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.956318 (E_RNA)
where:
Base-Base interactions energy: -37.959
where: short stacking energy: -36.215
Base-Backbone interact. energy: -0.105
local terms energy: -50.892018
where:
bonds (distance) C4'-P energy: -9.307
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -6.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -80.141952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.141952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.141952 (E_RNA)
where:
Base-Base interactions energy: -29.357
where: short stacking energy: -23.185
Base-Backbone interact. energy: -0.065
local terms energy: -50.719397
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: 1.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -224.581871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.581871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.581871 (E_RNA)
where:
Base-Base interactions energy: -148.139
where: short stacking energy: -66.032
Base-Backbone interact. energy: -0.891
local terms energy: -75.552294
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -12.375
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: 2
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -217.721688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.721688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.721688 (E_RNA)
where:
Base-Base interactions energy: -141.713
where: short stacking energy: -64.898
Base-Backbone interact. energy: -0.744
local terms energy: -75.264254
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -18.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -209.205769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.205769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.205769 (E_RNA)
where:
Base-Base interactions energy: -138.245
where: short stacking energy: -56.924
Base-Backbone interact. energy: -0.110
local terms energy: -70.850543
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -15.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -182.124128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.124128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.124128 (E_RNA)
where:
Base-Base interactions energy: -114.101
where: short stacking energy: -63.669
Base-Backbone interact. energy: -0.077
local terms energy: -67.945744
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -11.730
flat angles C4'-P-C4' energy: -10.436
flat angles P-C4'-P energy: -13.989
tors. eta vs tors. theta energy: -17.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -200.520433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.520433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.520433 (E_RNA)
where:
Base-Base interactions energy: -129.595
where: short stacking energy: -58.673
Base-Backbone interact. energy: -0.152
local terms energy: -70.773394
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -16.503
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: 397
Temperature: 1.150000
Total energy: -147.753406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.753406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.753406 (E_RNA)
where:
Base-Base interactions energy: -83.275
where: short stacking energy: -48.339
Base-Backbone interact. energy: 0.129
local terms energy: -64.607459
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -12.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -101.782251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.782251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.782251 (E_RNA)
where:
Base-Base interactions energy: -41.999
where: short stacking energy: -41.574
Base-Backbone interact. energy: -0.088
local terms energy: -59.694665
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -11.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -87.931089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.931089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.931089 (E_RNA)
where:
Base-Base interactions energy: -32.669
where: short stacking energy: -30.208
Base-Backbone interact. energy: -0.142
local terms energy: -55.119304
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: -2.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -80.082502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.082502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.082502 (E_RNA)
where:
Base-Base interactions energy: -27.108
where: short stacking energy: -26.668
Base-Backbone interact. energy: -0.167
local terms energy: -52.807230
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: 0.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -73.341708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.341708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.341708 (E_RNA)
where:
Base-Base interactions energy: -34.889
where: short stacking energy: -29.190
Base-Backbone interact. energy: -0.194
local terms energy: -38.258827
where:
bonds (distance) C4'-P energy: -10.575
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -11.919
flat angles P-C4'-P energy: -1.649
tors. eta vs tors. theta energy: 0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -218.849731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.849731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.849731 (E_RNA)
where:
Base-Base interactions energy: -144.378
where: short stacking energy: -66.994
Base-Backbone interact. energy: -0.096
local terms energy: -74.376129
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -19.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -223.722183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.722183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.722183 (E_RNA)
where:
Base-Base interactions energy: -145.410
where: short stacking energy: -74.144
Base-Backbone interact. energy: -0.029
local terms energy: -78.283771
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -20.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -208.443246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.443246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.443246 (E_RNA)
where:
Base-Base interactions energy: -147.020
where: short stacking energy: -55.057
Base-Backbone interact. energy: -0.119
local terms energy: -61.303697
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -10.305
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -6.797
tors. eta vs tors. theta energy: -13.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -186.105382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.105382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.105382 (E_RNA)
where:
Base-Base interactions energy: -118.464
where: short stacking energy: -65.388
Base-Backbone interact. energy: -0.142
local terms energy: -67.499573
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -5.726
tors. eta vs tors. theta energy: -20.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -187.223300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.223300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.223300 (E_RNA)
where:
Base-Base interactions energy: -113.976
where: short stacking energy: -54.974
Base-Backbone interact. energy: -0.825
local terms energy: -72.422218
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -14.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -140.226436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.226436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.226436 (E_RNA)
where:
Base-Base interactions energy: -85.735
where: short stacking energy: -41.840
Base-Backbone interact. energy: -0.070
local terms energy: -54.421529
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -5.684
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: 3
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -91.710967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.710967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.710967 (E_RNA)
where:
Base-Base interactions energy: -37.086
where: short stacking energy: -37.086
Base-Backbone interact. energy: -0.112
local terms energy: -54.513735
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -12.116
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -5.933
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: 8, replica: 10
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -88.809684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.809684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.809684 (E_RNA)
where:
Base-Base interactions energy: -42.533
where: short stacking energy: -36.927
Base-Backbone interact. energy: -0.100
local terms energy: -46.176634
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -7.374
flat angles P-C4'-P energy: -7.053
tors. eta vs tors. theta energy: -6.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -88.942010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.942010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.942010 (E_RNA)
where:
Base-Base interactions energy: -43.961
where: short stacking energy: -33.213
Base-Backbone interact. energy: -0.144
local terms energy: -44.837346
where:
bonds (distance) C4'-P energy: -6.034
bonds (distance) P-C4' energy: -11.383
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -3.423
tors. eta vs tors. theta energy: -7.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -76.653632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.653632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.653632 (E_RNA)
where:
Base-Base interactions energy: -27.188
where: short stacking energy: -27.188
Base-Backbone interact. energy: -0.022
local terms energy: -49.443203
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -11.219
flat angles P-C4'-P energy: -7.127
tors. eta vs tors. theta energy: -1.438
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: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -219.861180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.861180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.861180 (E_RNA)
where:
Base-Base interactions energy: -149.140
where: short stacking energy: -56.840
Base-Backbone interact. energy: -1.706
local terms energy: -69.014228
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -12.070
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -17.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -222.425287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.425287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.425287 (E_RNA)
where:
Base-Base interactions energy: -142.705
where: short stacking energy: -67.398
Base-Backbone interact. energy: -0.001
local terms energy: -79.719441
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -23.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -210.375949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.375949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.375949 (E_RNA)
where:
Base-Base interactions energy: -142.476
where: short stacking energy: -48.945
Base-Backbone interact. energy: -1.062
local terms energy: -66.837830
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -8.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -196.910804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.910804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.910804 (E_RNA)
where:
Base-Base interactions energy: -136.870
where: short stacking energy: -52.600
Base-Backbone interact. energy: -1.225
local terms energy: -58.816190
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -7.605
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -14.087
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: 5
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -170.493234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.493234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.493234 (E_RNA)
where:
Base-Base interactions energy: -104.519
where: short stacking energy: -47.424
Base-Backbone interact. energy: -0.345
local terms energy: -65.629736
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -9.282
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: 6, replica: 7
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -149.685641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.685641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.685641 (E_RNA)
where:
Base-Base interactions energy: -85.486
where: short stacking energy: -46.976
Base-Backbone interact. energy: -0.035
local terms energy: -64.164615
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -12.446
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: 3
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -87.723811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.723811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.723811 (E_RNA)
where:
Base-Base interactions energy: -36.510
where: short stacking energy: -29.395
Base-Backbone interact. energy: -0.755
local terms energy: -50.458272
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -8.029
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -2.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -88.144961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.144961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.144961 (E_RNA)
where:
Base-Base interactions energy: -32.187
where: short stacking energy: -31.178
Base-Backbone interact. energy: -0.014
local terms energy: -55.943912
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -4.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -95.437718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.437718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.437718 (E_RNA)
where:
Base-Base interactions energy: -43.157
where: short stacking energy: -43.157
Base-Backbone interact. energy: -0.019
local terms energy: -52.261792
where:
bonds (distance) C4'-P energy: -9.532
bonds (distance) P-C4' energy: -10.058
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -13.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -83.267795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.267795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.267795 (E_RNA)
where:
Base-Base interactions energy: -44.745
where: short stacking energy: -22.959
Base-Backbone interact. energy: -0.152
local terms energy: -38.370352
where:
bonds (distance) C4'-P energy: -5.960
bonds (distance) P-C4' energy: -14.798
flat angles C4'-P-C4' energy: -10.933
flat angles P-C4'-P energy: -5.089
tors. eta vs tors. theta energy: -1.591
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: 2
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -221.487026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.487026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.487026 (E_RNA)
where:
Base-Base interactions energy: -152.161
where: short stacking energy: -62.840
Base-Backbone interact. energy: -0.054
local terms energy: -69.272059
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -15.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -223.180426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.180426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.180426 (E_RNA)
where:
Base-Base interactions energy: -151.088
where: short stacking energy: -80.281
Base-Backbone interact. energy: -0.087
local terms energy: -72.004706
where:
bonds (distance) C4'-P energy: -9.763
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -20.511
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: 8
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -206.578377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.578377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.578377 (E_RNA)
where:
Base-Base interactions energy: -137.547
where: short stacking energy: -57.194
Base-Backbone interact. energy: -0.003
local terms energy: -69.028670
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -17.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -196.220353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.220353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.220353 (E_RNA)
where:
Base-Base interactions energy: -129.666
where: short stacking energy: -44.777
Base-Backbone interact. energy: -2.020
local terms energy: -64.534373
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -13.372
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -9.632
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: 5, replica: 5
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -156.741726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.741726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.741726 (E_RNA)
where:
Base-Base interactions energy: -94.228
where: short stacking energy: -45.747
Base-Backbone interact. energy: -0.298
local terms energy: -62.216211
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -11.744
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: 6, replica: 7
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -142.459991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.459991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.459991 (E_RNA)
where:
Base-Base interactions energy: -81.960
where: short stacking energy: -48.594
Base-Backbone interact. energy: 0.033
local terms energy: -60.532674
where:
bonds (distance) C4'-P energy: -9.238
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -11.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -96.060900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.060900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.060900 (E_RNA)
where:
Base-Base interactions energy: -40.313
where: short stacking energy: -36.273
Base-Backbone interact. energy: -0.797
local terms energy: -54.951829
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -10.539
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: 8, replica: 3
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -85.544237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.544237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.544237 (E_RNA)
where:
Base-Base interactions energy: -37.458
where: short stacking energy: -27.599
Base-Backbone interact. energy: -0.216
local terms energy: -47.870604
where:
bonds (distance) C4'-P energy: -10.683
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -4.822
tors. eta vs tors. theta energy: -1.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -94.774674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.774674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.774674 (E_RNA)
where:
Base-Base interactions energy: -48.706
where: short stacking energy: -25.646
Base-Backbone interact. energy: -0.712
local terms energy: -45.356188
where:
bonds (distance) C4'-P energy: -9.271
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -11.778
flat angles P-C4'-P energy: -5.253
tors. eta vs tors. theta energy: -1.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -86.217599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.217599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.217599 (E_RNA)
where:
Base-Base interactions energy: -39.433
where: short stacking energy: -37.236
Base-Backbone interact. energy: 0.619
local terms energy: -47.403851
where:
bonds (distance) C4'-P energy: -8.617
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -11.467
flat angles P-C4'-P energy: -6.307
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: 1, replica: 2
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -223.445384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.445384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.445384 (E_RNA)
where:
Base-Base interactions energy: -151.886
where: short stacking energy: -64.108
Base-Backbone interact. energy: -0.517
local terms energy: -71.041440
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -14.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -213.089975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.089975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.089975 (E_RNA)
where:
Base-Base interactions energy: -134.835
where: short stacking energy: -63.612
Base-Backbone interact. energy: -0.497
local terms energy: -77.757876
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -19.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -218.822100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.822100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.822100 (E_RNA)
where:
Base-Base interactions energy: -142.567
where: short stacking energy: -74.604
Base-Backbone interact. energy: -0.006
local terms energy: -76.248349
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -19.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -192.044500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.044500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.044500 (E_RNA)
where:
Base-Base interactions energy: -128.124
where: short stacking energy: -47.481
Base-Backbone interact. energy: -2.059
local terms energy: -61.861483
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -11.639
flat angles C4'-P-C4' energy: -11.686
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -10.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -174.122537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.122537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.122537 (E_RNA)
where:
Base-Base interactions energy: -115.015
where: short stacking energy: -60.617
Base-Backbone interact. energy: 1.604
local terms energy: -60.711655
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -15.580
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: 7
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -146.552834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.552834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.552834 (E_RNA)
where:
Base-Base interactions energy: -87.414
where: short stacking energy: -48.812
Base-Backbone interact. energy: -0.621
local terms energy: -58.518115
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: -6.980
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: 1
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -94.381884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.381884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.381884 (E_RNA)
where:
Base-Base interactions energy: -37.131
where: short stacking energy: -32.114
Base-Backbone interact. energy: 0.264
local terms energy: -57.514856
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -7.543
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: 8, replica: 4
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -93.763703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.763703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.763703 (E_RNA)
where:
Base-Base interactions energy: -39.946
where: short stacking energy: -33.176
Base-Backbone interact. energy: 0.416
local terms energy: -54.233946
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -12.051
flat angles C4'-P-C4' energy: -11.019
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -3.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -79.842880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.842880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.842880 (E_RNA)
where:
Base-Base interactions energy: -37.309
where: short stacking energy: -23.715
Base-Backbone interact. energy: -0.062
local terms energy: -42.471098
where:
bonds (distance) C4'-P energy: -6.444
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -5.955
tors. eta vs tors. theta energy: -6.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -73.661958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.661958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.661958 (E_RNA)
where:
Base-Base interactions energy: -21.901
where: short stacking energy: -21.901
Base-Backbone interact. energy: -0.218
local terms energy: -51.542450
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -10.279
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: 8
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -223.648010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.648010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.648010 (E_RNA)
where:
Base-Base interactions energy: -145.312
where: short stacking energy: -61.624
Base-Backbone interact. energy: -0.587
local terms energy: -77.749624
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -20.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -223.274625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.274625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.274625 (E_RNA)
where:
Base-Base interactions energy: -153.520
where: short stacking energy: -63.921
Base-Backbone interact. energy: -0.241
local terms energy: -69.513867
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -7.020
tors. eta vs tors. theta energy: -17.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -214.993115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.993115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.993115 (E_RNA)
where:
Base-Base interactions energy: -141.750
where: short stacking energy: -59.041
Base-Backbone interact. energy: -1.061
local terms energy: -72.182928
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -18.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -174.789664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.789664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.789664 (E_RNA)
where:
Base-Base interactions energy: -119.429
where: short stacking energy: -38.545
Base-Backbone interact. energy: -0.313
local terms energy: -55.047633
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -9.416
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -6.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -164.383157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.383157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.383157 (E_RNA)
where:
Base-Base interactions energy: -91.033
where: short stacking energy: -50.971
Base-Backbone interact. energy: -1.023
local terms energy: -72.327034
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -12.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -167.194348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.194348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.194348 (E_RNA)
where:
Base-Base interactions energy: -107.312
where: short stacking energy: -49.910
Base-Backbone interact. energy: -0.088
local terms energy: -59.794194
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -10.617
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: 4
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -98.761275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.761275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.761275 (E_RNA)
where:
Base-Base interactions energy: -37.759
where: short stacking energy: -29.833
Base-Backbone interact. energy: -0.532
local terms energy: -60.470910
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -12.906
tors. eta vs tors. theta energy: -4.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -89.668758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.668758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.668758 (E_RNA)
where:
Base-Base interactions energy: -34.223
where: short stacking energy: -34.223
Base-Backbone interact. energy: -0.053
local terms energy: -55.392763
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -11.669
flat angles P-C4'-P energy: -5.258
tors. eta vs tors. theta energy: -8.823
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: 402
Temperature: 1.300000
Total energy: -85.275767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.275767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.275767 (E_RNA)
where:
Base-Base interactions energy: -34.278
where: short stacking energy: -32.280
Base-Backbone interact. energy: -0.207
local terms energy: -50.790680
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -8.323
flat angles P-C4'-P energy: -7.137
tors. eta vs tors. theta energy: -2.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -74.707171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.707171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.707171 (E_RNA)
where:
Base-Base interactions energy: -28.550
where: short stacking energy: -20.871
Base-Backbone interact. energy: -0.904
local terms energy: -45.252609
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -11.926
flat angles P-C4'-P energy: -4.681
tors. eta vs tors. theta energy: -3.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -221.975992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.975992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.975992 (E_RNA)
where:
Base-Base interactions energy: -141.977
where: short stacking energy: -68.530
Base-Backbone interact. energy: -0.400
local terms energy: -79.598916
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -20.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -223.339894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.339894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.339894 (E_RNA)
where:
Base-Base interactions energy: -148.549
where: short stacking energy: -56.196
Base-Backbone interact. energy: -0.020
local terms energy: -74.770817
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -18.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -208.746966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.746966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.746966 (E_RNA)
where:
Base-Base interactions energy: -137.977
where: short stacking energy: -60.576
Base-Backbone interact. energy: -0.400
local terms energy: -70.370503
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -9.105
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: 4, replica: 7
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -166.809534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.809534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.809534 (E_RNA)
where:
Base-Base interactions energy: -109.044
where: short stacking energy: -47.084
Base-Backbone interact. energy: -0.043
local terms energy: -57.722766
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -9.183
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -13.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -173.494912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.494912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.494912 (E_RNA)
where:
Base-Base interactions energy: -109.668
where: short stacking energy: -57.032
Base-Backbone interact. energy: -0.887
local terms energy: -62.939684
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -10.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -155.231461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.231461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.231461 (E_RNA)
where:
Base-Base interactions energy: -97.362
where: short stacking energy: -40.134
Base-Backbone interact. energy: 1.421
local terms energy: -59.290651
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -6.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -91.417956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.417956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.417956 (E_RNA)
where:
Base-Base interactions energy: -27.360
where: short stacking energy: -27.360
Base-Backbone interact. energy: 0.470
local terms energy: -64.527047
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -5.797
tors. eta vs tors. theta energy: -11.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -87.667554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.667554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.667554 (E_RNA)
where:
Base-Base interactions energy: -30.579
where: short stacking energy: -28.677
Base-Backbone interact. energy: -2.209
local terms energy: -54.880305
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -11.700
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -6.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -87.055554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.055554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.055554 (E_RNA)
where:
Base-Base interactions energy: -34.021
where: short stacking energy: -32.931
Base-Backbone interact. energy: -0.148
local terms energy: -52.886858
where:
bonds (distance) C4'-P energy: -15.790
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: 1.908
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: 3
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -71.079505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.079505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.079505 (E_RNA)
where:
Base-Base interactions energy: -26.918
where: short stacking energy: -21.982
Base-Backbone interact. energy: -0.343
local terms energy: -43.818320
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -12.142
flat angles C4'-P-C4' energy: -9.135
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: 0.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -223.394845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.394845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.394845 (E_RNA)
where:
Base-Base interactions energy: -154.097
where: short stacking energy: -61.869
Base-Backbone interact. energy: -0.615
local terms energy: -68.683003
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -17.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -218.617168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.617168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.617168 (E_RNA)
where:
Base-Base interactions energy: -137.351
where: short stacking energy: -66.713
Base-Backbone interact. energy: -0.006
local terms energy: -81.260728
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: -20.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -206.553004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.553004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.553004 (E_RNA)
where:
Base-Base interactions energy: -135.693
where: short stacking energy: -52.580
Base-Backbone interact. energy: -0.003
local terms energy: -70.856857
where:
bonds (distance) C4'-P energy: -17.890
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -9.056
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: 4, replica: 7
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -166.402627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.402627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.402627 (E_RNA)
where:
Base-Base interactions energy: -105.371
where: short stacking energy: -44.765
Base-Backbone interact. energy: -0.547
local terms energy: -60.484632
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -12.979
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: 5, replica: 5
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -157.564715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.564715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.564715 (E_RNA)
where:
Base-Base interactions energy: -91.997
where: short stacking energy: -57.637
Base-Backbone interact. energy: -0.000
local terms energy: -65.567598
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -10.804
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: 6
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -171.770587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.770587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.770587 (E_RNA)
where:
Base-Base interactions energy: -115.368
where: short stacking energy: -43.752
Base-Backbone interact. energy: -0.092
local terms energy: -56.310947
where:
bonds (distance) C4'-P energy: -6.680
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -17.164
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -9.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -93.384324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.384324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.384324 (E_RNA)
where:
Base-Base interactions energy: -40.103
where: short stacking energy: -36.307
Base-Backbone interact. energy: 1.076
local terms energy: -54.357303
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -3.640
tors. eta vs tors. theta energy: -5.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -86.489698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.489698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.489698 (E_RNA)
where:
Base-Base interactions energy: -39.788
where: short stacking energy: -25.993
Base-Backbone interact. energy: -0.090
local terms energy: -46.611979
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -12.261
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -1.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -85.636498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.636498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.636498 (E_RNA)
where:
Base-Base interactions energy: -32.097
where: short stacking energy: -28.301
Base-Backbone interact. energy: -0.166
local terms energy: -53.373507
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: -3.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -79.946019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.946019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.946019 (E_RNA)
where:
Base-Base interactions energy: -37.631
where: short stacking energy: -21.991
Base-Backbone interact. energy: 0.757
local terms energy: -43.071938
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -6.079
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -2.355
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: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -229.160085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.160085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.160085 (E_RNA)
where:
Base-Base interactions energy: -147.837
where: short stacking energy: -66.046
Base-Backbone interact. energy: -0.063
local terms energy: -81.260035
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -21.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -220.168234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.168234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.168234 (E_RNA)
where:
Base-Base interactions energy: -142.385
where: short stacking energy: -68.670
Base-Backbone interact. energy: -1.516
local terms energy: -76.266962
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -20.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -211.765326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.765326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.765326 (E_RNA)
where:
Base-Base interactions energy: -141.934
where: short stacking energy: -56.725
Base-Backbone interact. energy: -0.117
local terms energy: -69.714280
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -13.517
tors. eta vs tors. theta energy: -11.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -160.540014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.540014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.540014 (E_RNA)
where:
Base-Base interactions energy: -105.364
where: short stacking energy: -46.822
Base-Backbone interact. energy: -0.409
local terms energy: -54.767875
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -10.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -149.331557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.331557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.331557 (E_RNA)
where:
Base-Base interactions energy: -87.602
where: short stacking energy: -52.444
Base-Backbone interact. energy: -0.393
local terms energy: -61.337321
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -8.187
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: 6
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -187.349629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.349629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.349629 (E_RNA)
where:
Base-Base interactions energy: -123.519
where: short stacking energy: -55.629
Base-Backbone interact. energy: 0.858
local terms energy: -64.688831
where:
bonds (distance) C4'-P energy: -10.974
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -15.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -126.797317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.797317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.797317 (E_RNA)
where:
Base-Base interactions energy: -72.615
where: short stacking energy: -36.991
Base-Backbone interact. energy: 0.273
local terms energy: -54.455374
where:
bonds (distance) C4'-P energy: -9.842
bonds (distance) P-C4' energy: -15.904
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -5.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -86.031535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.031535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.031535 (E_RNA)
where:
Base-Base interactions energy: -38.002
where: short stacking energy: -35.434
Base-Backbone interact. energy: -0.381
local terms energy: -47.648322
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -7.902
flat angles C4'-P-C4' energy: -10.214
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -4.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -79.821052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.821052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.821052 (E_RNA)
where:
Base-Base interactions energy: -33.511
where: short stacking energy: -26.625
Base-Backbone interact. energy: -0.291
local terms energy: -46.018325
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -10.514
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -2.662
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: 3
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -77.882082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.882082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.882082 (E_RNA)
where:
Base-Base interactions energy: -25.656
where: short stacking energy: -23.649
Base-Backbone interact. energy: -0.168
local terms energy: -52.057693
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -10.516
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -7.637
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: 1, replica: 8
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -220.317947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.317947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.317947 (E_RNA)
where:
Base-Base interactions energy: -151.038
where: short stacking energy: -67.089
Base-Backbone interact. energy: -0.011
local terms energy: -69.268623
where:
bonds (distance) C4'-P energy: -9.999
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -6.259
tors. eta vs tors. theta energy: -20.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -222.106214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.106214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.106214 (E_RNA)
where:
Base-Base interactions energy: -147.587
where: short stacking energy: -67.814
Base-Backbone interact. energy: -0.005
local terms energy: -74.513962
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -17.586
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -20.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -189.717675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.717675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.717675 (E_RNA)
where:
Base-Base interactions energy: -125.464
where: short stacking energy: -54.212
Base-Backbone interact. energy: -0.354
local terms energy: -63.899603
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -13.456
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -7.831
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: 4, replica: 7
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -170.955026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.955026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.955026 (E_RNA)
where:
Base-Base interactions energy: -109.178
where: short stacking energy: -63.965
Base-Backbone interact. energy: -0.255
local terms energy: -61.521835
where:
bonds (distance) C4'-P energy: -8.663
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -9.729
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: 5, replica: 6
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -200.912737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.912737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.912737 (E_RNA)
where:
Base-Base interactions energy: -129.111
where: short stacking energy: -63.110
Base-Backbone interact. energy: -0.006
local terms energy: -71.795311
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -15.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -151.414780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.414780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.414780 (E_RNA)
where:
Base-Base interactions energy: -93.487
where: short stacking energy: -49.947
Base-Backbone interact. energy: -0.291
local terms energy: -57.637089
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -9.541
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -11.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -90.804423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.804423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.804423 (E_RNA)
where:
Base-Base interactions energy: -34.958
where: short stacking energy: -33.610
Base-Backbone interact. energy: -0.053
local terms energy: -55.793875
where:
bonds (distance) C4'-P energy: -8.613
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -9.087
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: 8, replica: 10
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -132.504072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.504072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.504072 (E_RNA)
where:
Base-Base interactions energy: -69.873
where: short stacking energy: -32.798
Base-Backbone interact. energy: -0.815
local terms energy: -61.816229
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -8.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -73.121672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.121672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.121672 (E_RNA)
where:
Base-Base interactions energy: -19.712
where: short stacking energy: -19.712
Base-Backbone interact. energy: -0.333
local terms energy: -53.077182
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -10.554
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -8.334
tors. eta vs tors. theta energy: -4.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -90.006532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.006532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.006532 (E_RNA)
where:
Base-Base interactions energy: -34.403
where: short stacking energy: -34.403
Base-Backbone interact. energy: -0.123
local terms energy: -55.480700
where:
bonds (distance) C4'-P energy: -13.124
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -7.201
tors. eta vs tors. theta energy: -6.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -226.446262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.446262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.446262 (E_RNA)
where:
Base-Base interactions energy: -144.480
where: short stacking energy: -69.229
Base-Backbone interact. energy: -1.576
local terms energy: -80.390576
where:
bonds (distance) C4'-P energy: -17.779
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -21.854
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: 9
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -219.666827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.666827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.666827 (E_RNA)
where:
Base-Base interactions energy: -144.423
where: short stacking energy: -72.827
Base-Backbone interact. energy: 0.125
local terms energy: -75.369101
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -10.379
flat angles P-C4'-P energy: -14.328
tors. eta vs tors. theta energy: -19.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -222.877018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.877018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.877018 (E_RNA)
where:
Base-Base interactions energy: -141.069
where: short stacking energy: -66.962
Base-Backbone interact. energy: -0.001
local terms energy: -81.806779
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -18.467
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: -18.712
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: 6
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -209.530954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.530954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.530954 (E_RNA)
where:
Base-Base interactions energy: -141.849
where: short stacking energy: -60.660
Base-Backbone interact. energy: -0.356
local terms energy: -67.325738
where:
bonds (distance) C4'-P energy: -6.929
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -20.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -160.716860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.716860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.716860 (E_RNA)
where:
Base-Base interactions energy: -95.615
where: short stacking energy: -55.176
Base-Backbone interact. energy: -0.051
local terms energy: -65.050870
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -12.342
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -14.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -159.554053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.554053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.554053 (E_RNA)
where:
Base-Base interactions energy: -103.991
where: short stacking energy: -44.772
Base-Backbone interact. energy: -0.143
local terms energy: -55.419662
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -11.007
flat angles P-C4'-P energy: -7.382
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: 407
Temperature: 1.200000
Total energy: -98.201425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.201425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.201425 (E_RNA)
where:
Base-Base interactions energy: -52.819
where: short stacking energy: -21.985
Base-Backbone interact. energy: -0.182
local terms energy: -45.200885
where:
bonds (distance) C4'-P energy: -10.303
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -6.642
tors. eta vs tors. theta energy: 0.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -82.116498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.116498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.116498 (E_RNA)
where:
Base-Base interactions energy: -33.434
where: short stacking energy: -30.329
Base-Backbone interact. energy: -0.252
local terms energy: -48.430718
where:
bonds (distance) C4'-P energy: -8.931
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -0.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -101.033693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.033693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.033693 (E_RNA)
where:
Base-Base interactions energy: -53.742
where: short stacking energy: -26.852
Base-Backbone interact. energy: -0.204
local terms energy: -47.087662
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -9.760
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: 1.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -79.510986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.510986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.510986 (E_RNA)
where:
Base-Base interactions energy: -25.207
where: short stacking energy: -23.480
Base-Backbone interact. energy: -0.103
local terms energy: -54.200665
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -15.031
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -3.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -226.287842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.287842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.287842 (E_RNA)
where:
Base-Base interactions energy: -144.507
where: short stacking energy: -70.012
Base-Backbone interact. energy: -0.099
local terms energy: -81.681815
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -18.150
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -20.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -217.810012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.810012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.810012 (E_RNA)
where:
Base-Base interactions energy: -138.791
where: short stacking energy: -71.698
Base-Backbone interact. energy: -0.018
local terms energy: -79.000734
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -12.236
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: 3, replica: 6
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -209.643949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.643949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.643949 (E_RNA)
where:
Base-Base interactions energy: -144.890
where: short stacking energy: -51.843
Base-Backbone interact. energy: -0.491
local terms energy: -64.262963
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -4.879
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: 4, replica: 2
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -221.280482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.280482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.280482 (E_RNA)
where:
Base-Base interactions energy: -148.556
where: short stacking energy: -74.560
Base-Backbone interact. energy: -0.089
local terms energy: -72.635112
where:
bonds (distance) C4'-P energy: -12.925
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -18.019
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -18.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -171.341965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.341965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.341965 (E_RNA)
where:
Base-Base interactions energy: -100.729
where: short stacking energy: -51.517
Base-Backbone interact. energy: 0.009
local terms energy: -70.622624
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -11.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -179.236311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.236311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.236311 (E_RNA)
where:
Base-Base interactions energy: -117.779
where: short stacking energy: -62.086
Base-Backbone interact. energy: -0.009
local terms energy: -61.448017
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -5.771
tors. eta vs tors. theta energy: -11.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -96.774644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.774644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.774644 (E_RNA)
where:
Base-Base interactions energy: -44.793
where: short stacking energy: -30.777
Base-Backbone interact. energy: -1.258
local terms energy: -50.723582
where:
bonds (distance) C4'-P energy: -11.848
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -0.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -85.307001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.307001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.307001 (E_RNA)
where:
Base-Base interactions energy: -40.890
where: short stacking energy: -21.197
Base-Backbone interact. energy: -0.684
local terms energy: -43.733483
where:
bonds (distance) C4'-P energy: -6.964
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -8.127
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -4.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -75.552870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.552870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.552870 (E_RNA)
where:
Base-Base interactions energy: -28.728
where: short stacking energy: -28.902
Base-Backbone interact. energy: 1.196
local terms energy: -48.021699
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: 2.911
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: 10, replica: 10
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -77.801316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.801316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.801316 (E_RNA)
where:
Base-Base interactions energy: -27.111
where: short stacking energy: -26.022
Base-Backbone interact. energy: -0.090
local terms energy: -50.600855
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -10.759
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: 0.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -224.310542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.310542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.310542 (E_RNA)
where:
Base-Base interactions energy: -144.391
where: short stacking energy: -71.005
Base-Backbone interact. energy: -0.008
local terms energy: -79.911477
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -17.589
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -18.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -225.259975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.259975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.259975 (E_RNA)
where:
Base-Base interactions energy: -156.143
where: short stacking energy: -78.373
Base-Backbone interact. energy: -0.019
local terms energy: -69.097682
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -6.067
tors. eta vs tors. theta energy: -14.447
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: 6
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -206.373324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.373324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.373324 (E_RNA)
where:
Base-Base interactions energy: -141.360
where: short stacking energy: -57.907
Base-Backbone interact. energy: -0.115
local terms energy: -64.898638
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -12.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -206.217667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.217667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.217667 (E_RNA)
where:
Base-Base interactions energy: -133.503
where: short stacking energy: -61.153
Base-Backbone interact. energy: -0.022
local terms energy: -72.692509
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -7.538
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: 5
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -168.513752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.513752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.513752 (E_RNA)
where:
Base-Base interactions energy: -103.696
where: short stacking energy: -57.930
Base-Backbone interact. energy: -0.058
local terms energy: -64.760534
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -7.902
tors. eta vs tors. theta energy: -14.847
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: 6, replica: 7
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -159.347704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.347704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.347704 (E_RNA)
where:
Base-Base interactions energy: -104.856
where: short stacking energy: -44.102
Base-Backbone interact. energy: -0.114
local terms energy: -54.377687
where:
bonds (distance) C4'-P energy: -8.015
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -6.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -88.736688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.736688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.736688 (E_RNA)
where:
Base-Base interactions energy: -37.591
where: short stacking energy: -30.714
Base-Backbone interact. energy: -0.052
local terms energy: -51.094186
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -0.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -93.139051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.139051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.139051 (E_RNA)
where:
Base-Base interactions energy: -39.366
where: short stacking energy: -38.023
Base-Backbone interact. energy: -0.067
local terms energy: -53.706495
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -2.580
tors. eta vs tors. theta energy: -11.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -88.336140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.336140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.336140 (E_RNA)
where:
Base-Base interactions energy: -42.265
where: short stacking energy: -31.433
Base-Backbone interact. energy: -0.099
local terms energy: -45.972332
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -7.931
flat angles P-C4'-P energy: -6.915
tors. eta vs tors. theta energy: -6.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -80.376565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.376565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.376565 (E_RNA)
where:
Base-Base interactions energy: -34.421
where: short stacking energy: -30.508
Base-Backbone interact. energy: -0.292
local terms energy: -45.662922
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -9.951
flat angles P-C4'-P energy: -4.288
tors. eta vs tors. theta energy: -3.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -220.287662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.287662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.287662 (E_RNA)
where:
Base-Base interactions energy: -144.068
where: short stacking energy: -63.891
Base-Backbone interact. energy: -0.158
local terms energy: -76.061994
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -20.451
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: 2, replica: 8
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -222.180767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.180767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.180767 (E_RNA)
where:
Base-Base interactions energy: -147.097
where: short stacking energy: -73.324
Base-Backbone interact. energy: -0.002
local terms energy: -75.081728
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -11.371
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: 3, replica: 2
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -215.253117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.253117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.253117 (E_RNA)
where:
Base-Base interactions energy: -137.773
where: short stacking energy: -64.181
Base-Backbone interact. energy: -0.020
local terms energy: -77.460239
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -12.260
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -13.676
tors. eta vs tors. theta energy: -22.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -204.064093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.064093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.064093 (E_RNA)
where:
Base-Base interactions energy: -134.655
where: short stacking energy: -54.156
Base-Backbone interact. energy: -0.360
local terms energy: -69.048860
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -6.767
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: 7
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -166.324621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.324621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.324621 (E_RNA)
where:
Base-Base interactions energy: -101.906
where: short stacking energy: -53.981
Base-Backbone interact. energy: -0.391
local terms energy: -64.027857
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -13.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -156.793348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.793348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.793348 (E_RNA)
where:
Base-Base interactions energy: -99.330
where: short stacking energy: -52.417
Base-Backbone interact. energy: -0.076
local terms energy: -57.387364
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -11.119
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -9.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -92.961350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.961350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.961350 (E_RNA)
where:
Base-Base interactions energy: -44.695
where: short stacking energy: -20.126
Base-Backbone interact. energy: 0.165
local terms energy: -48.431317
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -6.697
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -6.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -84.481298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.481298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.481298 (E_RNA)
where:
Base-Base interactions energy: -30.293
where: short stacking energy: -24.426
Base-Backbone interact. energy: -0.177
local terms energy: -54.010843
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -1.247
tors. eta vs tors. theta energy: -8.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -82.751638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.751638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.751638 (E_RNA)
where:
Base-Base interactions energy: -33.808
where: short stacking energy: -29.016
Base-Backbone interact. energy: -0.044
local terms energy: -48.900172
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -8.308
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: 10, replica: 4
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -90.320171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.320171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.320171 (E_RNA)
where:
Base-Base interactions energy: -40.560
where: short stacking energy: -20.097
Base-Backbone interact. energy: -0.024
local terms energy: -49.736299
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -6.224
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: 1, replica: 9
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -237.232112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.232112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.232112 (E_RNA)
where:
Base-Base interactions energy: -152.443
where: short stacking energy: -73.362
Base-Backbone interact. energy: -0.003
local terms energy: -84.785977
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -21.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -223.294002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.294002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.294002 (E_RNA)
where:
Base-Base interactions energy: -150.825
where: short stacking energy: -76.599
Base-Backbone interact. energy: -0.009
local terms energy: -72.459521
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -12.249
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -19.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -215.583028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.583028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.583028 (E_RNA)
where:
Base-Base interactions energy: -144.511
where: short stacking energy: -61.231
Base-Backbone interact. energy: -0.002
local terms energy: -71.069449
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -10.878
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -20.299
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: 6
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -203.505066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.505066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.505066 (E_RNA)
where:
Base-Base interactions energy: -135.602
where: short stacking energy: -58.376
Base-Backbone interact. energy: -0.171
local terms energy: -67.731927
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -16.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -162.390894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.390894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.390894 (E_RNA)
where:
Base-Base interactions energy: -101.112
where: short stacking energy: -57.634
Base-Backbone interact. energy: 0.774
local terms energy: -62.052667
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -11.890
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -16.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -170.490151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.490151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.490151 (E_RNA)
where:
Base-Base interactions energy: -106.497
where: short stacking energy: -46.728
Base-Backbone interact. energy: -0.091
local terms energy: -63.902224
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -6.428
tors. eta vs tors. theta energy: -9.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -101.494007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.494007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.494007 (E_RNA)
where:
Base-Base interactions energy: -49.235
where: short stacking energy: -31.105
Base-Backbone interact. energy: -1.101
local terms energy: -51.157766
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -10.375
flat angles P-C4'-P energy: -2.552
tors. eta vs tors. theta energy: -9.058
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: 10
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -81.628945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.628945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.628945 (E_RNA)
where:
Base-Base interactions energy: -31.247
where: short stacking energy: -26.585
Base-Backbone interact. energy: -0.134
local terms energy: -50.247090
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -11.108
flat angles P-C4'-P energy: -5.760
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: 1
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -92.713598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.713598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.713598 (E_RNA)
where:
Base-Base interactions energy: -47.554
where: short stacking energy: -33.034
Base-Backbone interact. energy: -0.112
local terms energy: -45.047991
where:
bonds (distance) C4'-P energy: -9.077
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -8.543
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -4.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -80.355428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.355428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.355428 (E_RNA)
where:
Base-Base interactions energy: -27.687
where: short stacking energy: -24.126
Base-Backbone interact. energy: 0.077
local terms energy: -52.745500
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -11.776
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -3.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -224.309432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.309432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.309432 (E_RNA)
where:
Base-Base interactions energy: -146.255
where: short stacking energy: -76.375
Base-Backbone interact. energy: -0.442
local terms energy: -77.612351
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -22.976
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: 2
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -222.391263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.391263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.391263 (E_RNA)
where:
Base-Base interactions energy: -141.096
where: short stacking energy: -71.094
Base-Backbone interact. energy: -0.591
local terms energy: -80.704267
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -20.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -213.003563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.003563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.003563 (E_RNA)
where:
Base-Base interactions energy: -134.229
where: short stacking energy: -64.567
Base-Backbone interact. energy: -0.111
local terms energy: -78.662794
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -21.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -204.104502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.104502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.104502 (E_RNA)
where:
Base-Base interactions energy: -142.248
where: short stacking energy: -56.915
Base-Backbone interact. energy: -0.587
local terms energy: -61.269347
where:
bonds (distance) C4'-P energy: -10.494
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -14.181
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: 412
Temperature: 1.100000
Total energy: -191.785530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.785530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.785530 (E_RNA)
where:
Base-Base interactions energy: -126.393
where: short stacking energy: -55.743
Base-Backbone interact. energy: -0.221
local terms energy: -65.171544
where:
bonds (distance) C4'-P energy: -11.568
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -9.830
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: 6, replica: 7
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -165.486995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.486995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.486995 (E_RNA)
where:
Base-Base interactions energy: -102.447
where: short stacking energy: -57.397
Base-Backbone interact. energy: -0.010
local terms energy: -63.029775
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -4.035
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: 7, replica: 3
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -98.752237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.752237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.752237 (E_RNA)
where:
Base-Base interactions energy: -43.880
where: short stacking energy: -36.979
Base-Backbone interact. energy: -0.101
local terms energy: -54.770780
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -9.270
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -9.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -84.839368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.839368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.839368 (E_RNA)
where:
Base-Base interactions energy: -33.473
where: short stacking energy: -30.515
Base-Backbone interact. energy: -0.109
local terms energy: -51.258293
where:
bonds (distance) C4'-P energy: -8.439
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -5.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -76.642421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.642421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.642421 (E_RNA)
where:
Base-Base interactions energy: -26.844
where: short stacking energy: -24.313
Base-Backbone interact. energy: -0.033
local terms energy: -49.765288
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: 1.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -99.324980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.324980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.324980 (E_RNA)
where:
Base-Base interactions energy: -47.171
where: short stacking energy: -25.076
Base-Backbone interact. energy: -0.143
local terms energy: -52.010928
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -9.464
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -225.022378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.022378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.022378 (E_RNA)
where:
Base-Base interactions energy: -143.427
where: short stacking energy: -68.642
Base-Backbone interact. energy: -0.055
local terms energy: -81.540681
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -21.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -218.032092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.032092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.032092 (E_RNA)
where:
Base-Base interactions energy: -145.351
where: short stacking energy: -70.497
Base-Backbone interact. energy: -1.386
local terms energy: -71.294963
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -11.369
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -22.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -219.485695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.485695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.485695 (E_RNA)
where:
Base-Base interactions energy: -137.824
where: short stacking energy: -69.581
Base-Backbone interact. energy: -0.002
local terms energy: -81.660191
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -21.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -216.394243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.394243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.394243 (E_RNA)
where:
Base-Base interactions energy: -149.783
where: short stacking energy: -57.890
Base-Backbone interact. energy: -0.371
local terms energy: -66.240548
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -13.139
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -10.717
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: 5
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -166.653549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.653549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.653549 (E_RNA)
where:
Base-Base interactions energy: -107.902
where: short stacking energy: -54.930
Base-Backbone interact. energy: -0.123
local terms energy: -58.628437
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -11.009
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -4.433
tors. eta vs tors. theta energy: -14.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -95.176334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.176334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.176334 (E_RNA)
where:
Base-Base interactions energy: -39.632
where: short stacking energy: -38.562
Base-Backbone interact. energy: -0.005
local terms energy: -55.539513
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -11.738
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -11.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -161.449715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.449715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.449715 (E_RNA)
where:
Base-Base interactions energy: -97.663
where: short stacking energy: -49.588
Base-Backbone interact. energy: -0.320
local terms energy: -63.466278
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -9.843
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -10.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -74.340580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.340580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.340580 (E_RNA)
where:
Base-Base interactions energy: -26.585
where: short stacking energy: -26.585
Base-Backbone interact. energy: 0.652
local terms energy: -48.407516
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: 2.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -81.899911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.899911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.899911 (E_RNA)
where:
Base-Base interactions energy: -27.207
where: short stacking energy: -28.007
Base-Backbone interact. energy: -0.015
local terms energy: -54.677554
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -9.044
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -5.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -75.301883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.301883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.301883 (E_RNA)
where:
Base-Base interactions energy: -21.902
where: short stacking energy: -15.176
Base-Backbone interact. energy: -0.292
local terms energy: -53.107599
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -9.483
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -5.736
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: 6
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -222.115949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.115949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.115949 (E_RNA)
where:
Base-Base interactions energy: -150.586
where: short stacking energy: -66.369
Base-Backbone interact. energy: -1.196
local terms energy: -70.334390
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -9.734
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: 2, replica: 9
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -221.829280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.829280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.829280 (E_RNA)
where:
Base-Base interactions energy: -144.689
where: short stacking energy: -71.770
Base-Backbone interact. energy: 0.746
local terms energy: -77.886402
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -10.765
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: 3, replica: 8
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -200.908611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.908611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.908611 (E_RNA)
where:
Base-Base interactions energy: -143.380
where: short stacking energy: -45.801
Base-Backbone interact. energy: -1.294
local terms energy: -56.234356
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -5.560
tors. eta vs tors. theta energy: -8.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -207.877362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.877362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.877362 (E_RNA)
where:
Base-Base interactions energy: -135.165
where: short stacking energy: -59.820
Base-Backbone interact. energy: -0.389
local terms energy: -72.323590
where:
bonds (distance) C4'-P energy: -10.267
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -21.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -101.462935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.462935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.462935 (E_RNA)
where:
Base-Base interactions energy: -41.541
where: short stacking energy: -41.541
Base-Backbone interact. energy: -0.040
local terms energy: -59.881914
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -11.106
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -5.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -169.614671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.614671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.614671 (E_RNA)
where:
Base-Base interactions energy: -101.497
where: short stacking energy: -59.437
Base-Backbone interact. energy: 0.175
local terms energy: -68.293001
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -17.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -95.923797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.923797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.923797 (E_RNA)
where:
Base-Base interactions energy: -41.693
where: short stacking energy: -21.381
Base-Backbone interact. energy: -0.996
local terms energy: -53.235308
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -10.304
tors. eta vs tors. theta energy: -2.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -136.316167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.316167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.316167 (E_RNA)
where:
Base-Base interactions energy: -82.204
where: short stacking energy: -37.353
Base-Backbone interact. energy: -0.376
local terms energy: -53.736840
where:
bonds (distance) C4'-P energy: -10.651
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -11.560
flat angles P-C4'-P energy: -6.572
tors. eta vs tors. theta energy: -9.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -88.286503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.286503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.286503 (E_RNA)
where:
Base-Base interactions energy: -33.965
where: short stacking energy: -32.633
Base-Backbone interact. energy: -0.005
local terms energy: -54.316983
where:
bonds (distance) C4'-P energy: -10.622
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -6.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -84.234282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.234282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.234282 (E_RNA)
where:
Base-Base interactions energy: -29.551
where: short stacking energy: -29.551
Base-Backbone interact. energy: -0.018
local terms energy: -54.665654
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -10.372
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -1.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -230.926428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.926428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.926428 (E_RNA)
where:
Base-Base interactions energy: -146.237
where: short stacking energy: -71.603
Base-Backbone interact. energy: -0.004
local terms energy: -84.685121
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -20.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -206.761943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.761943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.761943 (E_RNA)
where:
Base-Base interactions energy: -137.783
where: short stacking energy: -52.964
Base-Backbone interact. energy: -0.265
local terms energy: -68.714767
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -13.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -220.865896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.865896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.865896 (E_RNA)
where:
Base-Base interactions energy: -140.216
where: short stacking energy: -68.214
Base-Backbone interact. energy: -0.050
local terms energy: -80.600238
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -18.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -212.392564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.392564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.392564 (E_RNA)
where:
Base-Base interactions energy: -141.085
where: short stacking energy: -70.987
Base-Backbone interact. energy: -0.004
local terms energy: -71.304424
where:
bonds (distance) C4'-P energy: -9.208
bonds (distance) P-C4' energy: -15.929
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -21.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -108.225262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.225262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.225262 (E_RNA)
where:
Base-Base interactions energy: -46.552
where: short stacking energy: -42.381
Base-Backbone interact. energy: -0.155
local terms energy: -61.518321
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -11.774
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: 5
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -162.497634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.497634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.497634 (E_RNA)
where:
Base-Base interactions energy: -99.515
where: short stacking energy: -57.684
Base-Backbone interact. energy: -0.282
local terms energy: -62.699981
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -11.710
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -15.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -96.269180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.269180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.269180 (E_RNA)
where:
Base-Base interactions energy: -39.793
where: short stacking energy: -38.045
Base-Backbone interact. energy: -0.103
local terms energy: -56.373509
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -16.534
flat angles C4'-P-C4' energy: -9.916
flat angles P-C4'-P energy: -4.428
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: 8, replica: 7
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -143.555145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.555145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.555145 (E_RNA)
where:
Base-Base interactions energy: -94.375
where: short stacking energy: -32.274
Base-Backbone interact. energy: -0.437
local terms energy: -48.743502
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -6.986
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -3.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -74.465300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.465300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.465300 (E_RNA)
where:
Base-Base interactions energy: -30.729
where: short stacking energy: -24.228
Base-Backbone interact. energy: -0.266
local terms energy: -43.470732
where:
bonds (distance) C4'-P energy: -10.421
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -5.288
tors. eta vs tors. theta energy: 0.501
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: 10
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -76.763721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.763721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.763721 (E_RNA)
where:
Base-Base interactions energy: -26.536
where: short stacking energy: -25.524
Base-Backbone interact. energy: -0.113
local terms energy: -50.114639
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -6.375
flat angles P-C4'-P energy: -9.418
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: 1, replica: 6
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -227.163455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.163455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.163455 (E_RNA)
where:
Base-Base interactions energy: -150.276
where: short stacking energy: -76.373
Base-Backbone interact. energy: -0.002
local terms energy: -76.886113
where:
bonds (distance) C4'-P energy: -11.142
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -20.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -212.859427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.859427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.859427 (E_RNA)
where:
Base-Base interactions energy: -143.564
where: short stacking energy: -66.310
Base-Backbone interact. energy: -0.098
local terms energy: -69.197120
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -12.023
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -17.997
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: 2
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -222.418239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.418239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.418239 (E_RNA)
where:
Base-Base interactions energy: -146.329
where: short stacking energy: -71.140
Base-Backbone interact. energy: -0.225
local terms energy: -75.864677
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -16.816
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -20.647
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: 9
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -215.555019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.555019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.555019 (E_RNA)
where:
Base-Base interactions energy: -139.128
where: short stacking energy: -63.087
Base-Backbone interact. energy: -0.240
local terms energy: -76.186435
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -21.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -170.337680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.337680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.337680 (E_RNA)
where:
Base-Base interactions energy: -101.115
where: short stacking energy: -57.589
Base-Backbone interact. energy: 0.022
local terms energy: -69.244747
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -7.978
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: 3
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -114.046193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.046193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.046193 (E_RNA)
where:
Base-Base interactions energy: -52.858
where: short stacking energy: -52.080
Base-Backbone interact. energy: -0.012
local terms energy: -61.176143
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -12.869
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -14.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -154.368589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.368589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.368589 (E_RNA)
where:
Base-Base interactions energy: -89.172
where: short stacking energy: -44.795
Base-Backbone interact. energy: -0.442
local terms energy: -64.755130
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -8.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -87.739269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.739269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.739269 (E_RNA)
where:
Base-Base interactions energy: -42.236
where: short stacking energy: -34.774
Base-Backbone interact. energy: -0.221
local terms energy: -45.282171
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -1.551
tors. eta vs tors. theta energy: -3.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -83.518604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.518604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.518604 (E_RNA)
where:
Base-Base interactions energy: -30.645
where: short stacking energy: -29.736
Base-Backbone interact. energy: -0.019
local terms energy: -52.854359
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -5.698
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: 1
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -80.678919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.678919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.678919 (E_RNA)
where:
Base-Base interactions energy: -32.893
where: short stacking energy: -31.401
Base-Backbone interact. energy: 2.070
local terms energy: -49.856050
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -2.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -222.662246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.662246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.662246 (E_RNA)
where:
Base-Base interactions energy: -151.098
where: short stacking energy: -60.719
Base-Backbone interact. energy: -0.230
local terms energy: -71.334468
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -6.386
tors. eta vs tors. theta energy: -19.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -220.522573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.522573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.522573 (E_RNA)
where:
Base-Base interactions energy: -140.308
where: short stacking energy: -63.220
Base-Backbone interact. energy: -0.018
local terms energy: -80.196476
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -17.346
flat angles P-C4'-P energy: -14.444
tors. eta vs tors. theta energy: -17.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -213.580276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.580276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.580276 (E_RNA)
where:
Base-Base interactions energy: -138.569
where: short stacking energy: -57.709
Base-Backbone interact. energy: -1.387
local terms energy: -73.623609
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -17.985
flat angles P-C4'-P energy: -12.770
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: 4, replica: 9
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -202.297111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.297111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.297111 (E_RNA)
where:
Base-Base interactions energy: -134.057
where: short stacking energy: -52.269
Base-Backbone interact. energy: -0.114
local terms energy: -68.125941
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -10.343
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: 5, replica: 5
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -168.929509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.929509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.929509 (E_RNA)
where:
Base-Base interactions energy: -105.469
where: short stacking energy: -57.710
Base-Backbone interact. energy: -0.746
local terms energy: -62.714512
where:
bonds (distance) C4'-P energy: -10.174
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -16.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -166.459014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.459014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.459014 (E_RNA)
where:
Base-Base interactions energy: -105.695
where: short stacking energy: -44.247
Base-Backbone interact. energy: -0.151
local terms energy: -60.613292
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -5.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -95.977064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.977064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.977064 (E_RNA)
where:
Base-Base interactions energy: -33.599
where: short stacking energy: -33.599
Base-Backbone interact. energy: -0.727
local terms energy: -61.650452
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -10.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -93.638798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.638798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.638798 (E_RNA)
where:
Base-Base interactions energy: -37.102
where: short stacking energy: -29.684
Base-Backbone interact. energy: -0.479
local terms energy: -56.057171
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -1.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -79.946572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.946572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.946572 (E_RNA)
where:
Base-Base interactions energy: -34.940
where: short stacking energy: -34.823
Base-Backbone interact. energy: -0.020
local terms energy: -44.986895
where:
bonds (distance) C4'-P energy: -5.331
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -8.546
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -5.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -81.017547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.017547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.017547 (E_RNA)
where:
Base-Base interactions energy: -24.106
where: short stacking energy: -23.734
Base-Backbone interact. energy: -0.076
local terms energy: -56.835860
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -6.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -224.471742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.471742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.471742 (E_RNA)
where:
Base-Base interactions energy: -147.105
where: short stacking energy: -63.617
Base-Backbone interact. energy: -0.715
local terms energy: -76.651958
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: -19.007
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: 6
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -218.590297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.590297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.590297 (E_RNA)
where:
Base-Base interactions energy: -151.175
where: short stacking energy: -61.710
Base-Backbone interact. energy: -0.015
local terms energy: -67.400664
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -7.040
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: 3, replica: 2
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -216.129498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.129498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.129498 (E_RNA)
where:
Base-Base interactions energy: -143.230
where: short stacking energy: -54.306
Base-Backbone interact. energy: -1.108
local terms energy: -71.791545
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -10.020
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -19.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -200.291092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.291092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.291092 (E_RNA)
where:
Base-Base interactions energy: -129.104
where: short stacking energy: -59.090
Base-Backbone interact. energy: -0.025
local terms energy: -71.162095
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -11.125
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: 5, replica: 5
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -181.687194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.687194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.687194 (E_RNA)
where:
Base-Base interactions energy: -116.137
where: short stacking energy: -61.729
Base-Backbone interact. energy: -1.296
local terms energy: -64.253827
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -13.031
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -15.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -162.515182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.515182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.515182 (E_RNA)
where:
Base-Base interactions energy: -99.550
where: short stacking energy: -47.272
Base-Backbone interact. energy: -0.005
local terms energy: -62.960258
where:
bonds (distance) C4'-P energy: -11.087
bonds (distance) P-C4' energy: -14.798
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -8.380
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: 7, replica: 4
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -93.093987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.093987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.093987 (E_RNA)
where:
Base-Base interactions energy: -43.388
where: short stacking energy: -43.094
Base-Backbone interact. energy: -0.004
local terms energy: -49.701748
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -10.151
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -4.268
tors. eta vs tors. theta energy: -6.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -82.599892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.599892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.599892 (E_RNA)
where:
Base-Base interactions energy: -25.274
where: short stacking energy: -25.274
Base-Backbone interact. energy: -0.139
local terms energy: -57.187489
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -1.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -84.623800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.623800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.623800 (E_RNA)
where:
Base-Base interactions energy: -32.852
where: short stacking energy: -31.808
Base-Backbone interact. energy: -0.097
local terms energy: -51.675246
where:
bonds (distance) C4'-P energy: -9.707
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -4.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -84.427184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.427184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.427184 (E_RNA)
where:
Base-Base interactions energy: -30.867
where: short stacking energy: -30.127
Base-Backbone interact. energy: -0.086
local terms energy: -53.474374
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -5.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -221.715997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.715997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.715997 (E_RNA)
where:
Base-Base interactions energy: -145.229
where: short stacking energy: -68.517
Base-Backbone interact. energy: -0.124
local terms energy: -76.363587
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -19.672
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: 2
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -220.402226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.402226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.402226 (E_RNA)
where:
Base-Base interactions energy: -150.996
where: short stacking energy: -67.592
Base-Backbone interact. energy: -0.097
local terms energy: -69.308968
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -11.219
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: 3, replica: 6
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -208.060316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.060316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.060316 (E_RNA)
where:
Base-Base interactions energy: -133.885
where: short stacking energy: -51.385
Base-Backbone interact. energy: -2.174
local terms energy: -72.001612
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -16.729
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: 4, replica: 9
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -206.105632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.105632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.105632 (E_RNA)
where:
Base-Base interactions energy: -138.510
where: short stacking energy: -51.510
Base-Backbone interact. energy: -0.858
local terms energy: -66.737719
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -10.836
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -15.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -145.679364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.679364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.679364 (E_RNA)
where:
Base-Base interactions energy: -89.321
where: short stacking energy: -49.680
Base-Backbone interact. energy: 2.619
local terms energy: -58.977592
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -8.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -100.465840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.465840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.465840 (E_RNA)
where:
Base-Base interactions energy: -38.833
where: short stacking energy: -37.969
Base-Backbone interact. energy: -0.768
local terms energy: -60.864959
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -7.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -137.331050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.331050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.331050 (E_RNA)
where:
Base-Base interactions energy: -87.540
where: short stacking energy: -48.148
Base-Backbone interact. energy: -0.013
local terms energy: -49.778571
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -11.529
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -6.651
tors. eta vs tors. theta energy: -8.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -85.565224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.565224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.565224 (E_RNA)
where:
Base-Base interactions energy: -30.553
where: short stacking energy: -30.553
Base-Backbone interact. energy: -0.399
local terms energy: -54.612385
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -12.283
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -1.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -80.953797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.953797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.953797 (E_RNA)
where:
Base-Base interactions energy: -28.963
where: short stacking energy: -19.273
Base-Backbone interact. energy: -0.145
local terms energy: -51.845664
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -12.213
flat angles C4'-P-C4' energy: -10.754
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -5.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -82.366588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.366588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.366588 (E_RNA)
where:
Base-Base interactions energy: -42.710
where: short stacking energy: -23.263
Base-Backbone interact. energy: -0.399
local terms energy: -39.257046
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -9.794
flat angles P-C4'-P energy: -5.729
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: 1, replica: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -224.645316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.645316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.645316 (E_RNA)
where:
Base-Base interactions energy: -151.836
where: short stacking energy: -72.178
Base-Backbone interact. energy: -0.374
local terms energy: -72.434486
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -17.576
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: 2, replica: 8
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -220.297682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.297682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.297682 (E_RNA)
where:
Base-Base interactions energy: -141.860
where: short stacking energy: -61.667
Base-Backbone interact. energy: -0.395
local terms energy: -78.042548
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -18.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -210.042109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.042109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.042109 (E_RNA)
where:
Base-Base interactions energy: -139.706
where: short stacking energy: -68.754
Base-Backbone interact. energy: -0.300
local terms energy: -70.035983
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -18.443
flat angles P-C4'-P energy: -3.106
tors. eta vs tors. theta energy: -17.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -210.682095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.682095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.682095 (E_RNA)
where:
Base-Base interactions energy: -149.469
where: short stacking energy: -54.896
Base-Backbone interact. energy: -0.017
local terms energy: -61.196629
where:
bonds (distance) C4'-P energy: -9.954
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -7.441
tors. eta vs tors. theta energy: -14.049
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: 5
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -165.438290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.438290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.438290 (E_RNA)
where:
Base-Base interactions energy: -104.480
where: short stacking energy: -48.884
Base-Backbone interact. energy: -0.952
local terms energy: -60.006570
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -3.468
tors. eta vs tors. theta energy: -10.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -115.361310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.361310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.361310 (E_RNA)
where:
Base-Base interactions energy: -62.748
where: short stacking energy: -44.330
Base-Backbone interact. energy: 0.737
local terms energy: -53.350532
where:
bonds (distance) C4'-P energy: -10.159
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -9.386
flat angles P-C4'-P energy: -4.677
tors. eta vs tors. theta energy: -12.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -163.900817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.900817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.900817 (E_RNA)
where:
Base-Base interactions energy: -95.586
where: short stacking energy: -44.470
Base-Backbone interact. energy: -0.486
local terms energy: -67.828955
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -11.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -116.863498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.863498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.863498 (E_RNA)
where:
Base-Base interactions energy: -54.505
where: short stacking energy: -27.602
Base-Backbone interact. energy: -0.352
local terms energy: -62.006723
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -7.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -77.456958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.456958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.456958 (E_RNA)
where:
Base-Base interactions energy: -27.796
where: short stacking energy: -17.302
Base-Backbone interact. energy: -0.308
local terms energy: -49.353108
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -14.214
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -3.713
tors. eta vs tors. theta energy: -1.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -77.918921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.918921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.918921 (E_RNA)
where:
Base-Base interactions energy: -33.651
where: short stacking energy: -18.134
Base-Backbone interact. energy: 1.124
local terms energy: -45.391956
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -3.616
tors. eta vs tors. theta energy: -2.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -226.050922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.050922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.050922 (E_RNA)
where:
Base-Base interactions energy: -144.969
where: short stacking energy: -63.436
Base-Backbone interact. energy: -0.585
local terms energy: -80.496955
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -22.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -225.204986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.204986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.204986 (E_RNA)
where:
Base-Base interactions energy: -145.327
where: short stacking energy: -71.706
Base-Backbone interact. energy: -0.004
local terms energy: -79.873638
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -21.014
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: 9
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -212.181457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.181457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.181457 (E_RNA)
where:
Base-Base interactions energy: -144.379
where: short stacking energy: -63.572
Base-Backbone interact. energy: -0.478
local terms energy: -67.324512
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -11.872
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -16.742
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: 6
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -216.213792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.213792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.213792 (E_RNA)
where:
Base-Base interactions energy: -150.924
where: short stacking energy: -58.189
Base-Backbone interact. energy: -2.554
local terms energy: -62.735725
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -17.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -172.766656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.766656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.766656 (E_RNA)
where:
Base-Base interactions energy: -104.518
where: short stacking energy: -53.634
Base-Backbone interact. energy: -0.012
local terms energy: -68.236784
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -12.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -167.507504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.507504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.507504 (E_RNA)
where:
Base-Base interactions energy: -94.786
where: short stacking energy: -53.792
Base-Backbone interact. energy: -0.625
local terms energy: -72.097239
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -16.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -93.642747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.642747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.642747 (E_RNA)
where:
Base-Base interactions energy: -40.641
where: short stacking energy: -40.621
Base-Backbone interact. energy: -1.242
local terms energy: -51.760268
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -12.457
flat angles C4'-P-C4' energy: -7.919
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -8.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -85.673211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.673211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.673211 (E_RNA)
where:
Base-Base interactions energy: -30.886
where: short stacking energy: -28.794
Base-Backbone interact. energy: -0.619
local terms energy: -54.167841
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -1.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -87.991417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.991417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.991417 (E_RNA)
where:
Base-Base interactions energy: -34.182
where: short stacking energy: -22.277
Base-Backbone interact. energy: -0.128
local terms energy: -53.681921
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -2.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -71.276296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.276296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.276296 (E_RNA)
where:
Base-Base interactions energy: -23.867
where: short stacking energy: -23.867
Base-Backbone interact. energy: -0.202
local terms energy: -47.207193
where:
bonds (distance) C4'-P energy: -6.258
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -9.110
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -4.097
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: 1, replica: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -221.112407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.112407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.112407 (E_RNA)
where:
Base-Base interactions energy: -142.175
where: short stacking energy: -60.896
Base-Backbone interact. energy: -0.339
local terms energy: -78.597667
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -19.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -221.492010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.492010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.492010 (E_RNA)
where:
Base-Base interactions energy: -140.584
where: short stacking energy: -68.864
Base-Backbone interact. energy: -0.068
local terms energy: -80.840337
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -21.631
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: 3, replica: 9
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -221.869300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.869300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.869300 (E_RNA)
where:
Base-Base interactions energy: -136.501
where: short stacking energy: -65.550
Base-Backbone interact. energy: -0.680
local terms energy: -84.687554
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -17.942
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -23.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -202.114712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.114712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.114712 (E_RNA)
where:
Base-Base interactions energy: -130.716
where: short stacking energy: -62.151
Base-Backbone interact. energy: -0.007
local terms energy: -71.391775
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -19.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -151.504637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.504637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.504637 (E_RNA)
where:
Base-Base interactions energy: -90.582
where: short stacking energy: -44.704
Base-Backbone interact. energy: 0.569
local terms energy: -61.492038
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -4.701
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: 5
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -148.348487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.348487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.348487 (E_RNA)
where:
Base-Base interactions energy: -85.857
where: short stacking energy: -43.941
Base-Backbone interact. energy: -0.963
local terms energy: -61.528167
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -12.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -91.545097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.545097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.545097 (E_RNA)
where:
Base-Base interactions energy: -37.125
where: short stacking energy: -34.460
Base-Backbone interact. energy: -0.055
local terms energy: -54.365141
where:
bonds (distance) C4'-P energy: -12.436
bonds (distance) P-C4' energy: -15.904
flat angles C4'-P-C4' energy: -6.577
flat angles P-C4'-P energy: -13.079
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: 8, replica: 4
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -88.808923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.808923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.808923 (E_RNA)
where:
Base-Base interactions energy: -32.099
where: short stacking energy: -31.964
Base-Backbone interact. energy: -0.156
local terms energy: -56.554112
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -2.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -77.108225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.108225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.108225 (E_RNA)
where:
Base-Base interactions energy: -27.974
where: short stacking energy: -28.174
Base-Backbone interact. energy: -0.107
local terms energy: -49.027352
where:
bonds (distance) C4'-P energy: -11.119
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -1.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -80.276709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.276709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.276709 (E_RNA)
where:
Base-Base interactions energy: -39.568
where: short stacking energy: -33.287
Base-Backbone interact. energy: -0.028
local terms energy: -40.680305
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -11.665
flat angles C4'-P-C4' energy: -9.708
flat angles P-C4'-P energy: -3.713
tors. eta vs tors. theta energy: -1.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -224.417236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.417236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.417236 (E_RNA)
where:
Base-Base interactions energy: -147.874
where: short stacking energy: -56.617
Base-Backbone interact. energy: -0.178
local terms energy: -76.365962
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -18.755
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: 9
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -217.471606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.471606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.471606 (E_RNA)
where:
Base-Base interactions energy: -140.504
where: short stacking energy: -63.291
Base-Backbone interact. energy: 0.239
local terms energy: -77.207218
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -19.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -213.422225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.422225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.422225 (E_RNA)
where:
Base-Base interactions energy: -140.716
where: short stacking energy: -55.470
Base-Backbone interact. energy: -0.049
local terms energy: -72.657288
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -20.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -196.537267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.537267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.537267 (E_RNA)
where:
Base-Base interactions energy: -134.993
where: short stacking energy: -48.748
Base-Backbone interact. energy: -0.383
local terms energy: -61.160774
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -10.766
flat angles P-C4'-P energy: -4.025
tors. eta vs tors. theta energy: -13.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -162.792143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.792143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.792143 (E_RNA)
where:
Base-Base interactions energy: -97.602
where: short stacking energy: -54.703
Base-Backbone interact. energy: -0.038
local terms energy: -65.151813
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -15.556
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -10.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -106.377010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.377010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.377010 (E_RNA)
where:
Base-Base interactions energy: -41.244
where: short stacking energy: -38.562
Base-Backbone interact. energy: -0.001
local terms energy: -65.131865
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -8.675
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -11.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -129.057137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.057137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.057137 (E_RNA)
where:
Base-Base interactions energy: -73.551
where: short stacking energy: -35.465
Base-Backbone interact. energy: -0.003
local terms energy: -55.503435
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -15.633
flat angles C4'-P-C4' energy: -6.428
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -8.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -94.499230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.499230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.499230 (E_RNA)
where:
Base-Base interactions energy: -41.285
where: short stacking energy: -32.505
Base-Backbone interact. energy: 0.078
local terms energy: -53.292309
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -12.286
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: -3.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -92.641591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.641591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.641591 (E_RNA)
where:
Base-Base interactions energy: -37.107
where: short stacking energy: -30.765
Base-Backbone interact. energy: -0.072
local terms energy: -55.461656
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -10.843
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -8.126
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: 1
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -79.933614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.933614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.933614 (E_RNA)
where:
Base-Base interactions energy: -46.359
where: short stacking energy: -11.315
Base-Backbone interact. energy: -0.691
local terms energy: -32.883749
where:
bonds (distance) C4'-P energy: -11.977
bonds (distance) P-C4' energy: -9.999
flat angles C4'-P-C4' energy: -10.588
flat angles P-C4'-P energy: -4.308
tors. eta vs tors. theta energy: 3.988
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: 9
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -221.793409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.793409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.793409 (E_RNA)
where:
Base-Base interactions energy: -144.528
where: short stacking energy: -71.466
Base-Backbone interact. energy: -0.001
local terms energy: -77.265239
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -19.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -216.776750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.776750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.776750 (E_RNA)
where:
Base-Base interactions energy: -145.823
where: short stacking energy: -62.882
Base-Backbone interact. energy: -0.759
local terms energy: -70.193778
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -18.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -216.115330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.115330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.115330 (E_RNA)
where:
Base-Base interactions energy: -142.073
where: short stacking energy: -73.192
Base-Backbone interact. energy: -0.011
local terms energy: -74.030661
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -21.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -213.759546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.759546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.759546 (E_RNA)
where:
Base-Base interactions energy: -139.596
where: short stacking energy: -71.317
Base-Backbone interact. energy: -0.131
local terms energy: -74.032356
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -20.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -167.243937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.243937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.243937 (E_RNA)
where:
Base-Base interactions energy: -104.754
where: short stacking energy: -46.663
Base-Backbone interact. energy: -0.375
local terms energy: -62.115607
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -11.130
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: 6, replica: 10
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -93.566738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.566738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.566738 (E_RNA)
where:
Base-Base interactions energy: -36.723
where: short stacking energy: -36.723
Base-Backbone interact. energy: -0.021
local terms energy: -56.822050
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -16.592
flat angles C4'-P-C4' energy: -9.639
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -4.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -124.653246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.653246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.653246 (E_RNA)
where:
Base-Base interactions energy: -69.385
where: short stacking energy: -31.892
Base-Backbone interact. energy: -0.266
local terms energy: -55.002363
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -11.029
flat angles P-C4'-P energy: -9.753
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: 8, replica: 3
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -85.435011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.435011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.435011 (E_RNA)
where:
Base-Base interactions energy: -36.396
where: short stacking energy: -36.104
Base-Backbone interact. energy: -0.367
local terms energy: -48.671974
where:
bonds (distance) C4'-P energy: -10.019
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -9.485
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -5.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -84.189606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.189606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.189606 (E_RNA)
where:
Base-Base interactions energy: -40.510
where: short stacking energy: -23.923
Base-Backbone interact. energy: -0.113
local terms energy: -43.566172
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -11.241
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -0.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -79.372521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.372521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.372521 (E_RNA)
where:
Base-Base interactions energy: -21.434
where: short stacking energy: -21.434
Base-Backbone interact. energy: -0.796
local terms energy: -57.142182
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -1.445
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: 9
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -229.428766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.428766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.428766 (E_RNA)
where:
Base-Base interactions energy: -150.111
where: short stacking energy: -63.145
Base-Backbone interact. energy: -1.701
local terms energy: -77.616876
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -8.877
flat angles P-C4'-P energy: -13.329
tors. eta vs tors. theta energy: -21.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -213.431866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.431866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.431866 (E_RNA)
where:
Base-Base interactions energy: -136.017
where: short stacking energy: -64.794
Base-Backbone interact. energy: -0.006
local terms energy: -77.409748
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -21.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -210.402562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.402562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.402562 (E_RNA)
where:
Base-Base interactions energy: -144.032
where: short stacking energy: -63.603
Base-Backbone interact. energy: -0.117
local terms energy: -66.253794
where:
bonds (distance) C4'-P energy: -13.132
bonds (distance) P-C4' energy: -10.514
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -13.192
tors. eta vs tors. theta energy: -17.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -217.636523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.636523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.636523 (E_RNA)
where:
Base-Base interactions energy: -145.376
where: short stacking energy: -58.965
Base-Backbone interact. energy: -0.187
local terms energy: -72.073696
where:
bonds (distance) C4'-P energy: -11.165
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -19.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -165.321493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.321493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.321493 (E_RNA)
where:
Base-Base interactions energy: -106.660
where: short stacking energy: -58.724
Base-Backbone interact. energy: -0.251
local terms energy: -58.410318
where:
bonds (distance) C4'-P energy: -10.692
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -6.838
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: 6, replica: 5
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -96.306140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.306140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.306140 (E_RNA)
where:
Base-Base interactions energy: -45.915
where: short stacking energy: -34.987
Base-Backbone interact. energy: -0.217
local terms energy: -50.173790
where:
bonds (distance) C4'-P energy: -9.704
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -3.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -82.927964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.927964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.927964 (E_RNA)
where:
Base-Base interactions energy: -34.273
where: short stacking energy: -25.956
Base-Backbone interact. energy: -0.392
local terms energy: -48.262774
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -11.110
flat angles P-C4'-P energy: -9.697
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: 8, replica: 1
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -84.132413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.132413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.132413 (E_RNA)
where:
Base-Base interactions energy: -30.393
where: short stacking energy: -30.393
Base-Backbone interact. energy: -0.005
local terms energy: -53.735046
where:
bonds (distance) C4'-P energy: -10.087
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -3.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -82.807870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.807870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.807870 (E_RNA)
where:
Base-Base interactions energy: -29.277
where: short stacking energy: -29.277
Base-Backbone interact. energy: 0.736
local terms energy: -54.267390
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -16.803
flat angles C4'-P-C4' energy: -10.250
flat angles P-C4'-P energy: -6.518
tors. eta vs tors. theta energy: -6.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -83.735890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.735890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.735890 (E_RNA)
where:
Base-Base interactions energy: -29.608
where: short stacking energy: -28.554
Base-Backbone interact. energy: -0.181
local terms energy: -53.946671
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: 0.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -223.569061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.569061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.569061 (E_RNA)
where:
Base-Base interactions energy: -147.892
where: short stacking energy: -61.861
Base-Backbone interact. energy: -0.106
local terms energy: -75.571335
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -10.684
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: 2, replica: 2
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -212.168876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.168876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.168876 (E_RNA)
where:
Base-Base interactions energy: -140.319
where: short stacking energy: -58.702
Base-Backbone interact. energy: -0.620
local terms energy: -71.229350
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -8.286
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: 3, replica: 8
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -210.190461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.190461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.190461 (E_RNA)
where:
Base-Base interactions energy: -138.248
where: short stacking energy: -63.338
Base-Backbone interact. energy: -0.020
local terms energy: -71.923055
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -16.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -205.996183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.996183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.996183 (E_RNA)
where:
Base-Base interactions energy: -127.932
where: short stacking energy: -60.083
Base-Backbone interact. energy: -0.105
local terms energy: -77.959583
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -15.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -174.665697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.665697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.665697 (E_RNA)
where:
Base-Base interactions energy: -113.565
where: short stacking energy: -52.711
Base-Backbone interact. energy: -0.597
local terms energy: -60.504179
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -11.207
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -10.594
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: 6, replica: 5
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -101.559711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.559711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.559711 (E_RNA)
where:
Base-Base interactions energy: -41.697
where: short stacking energy: -32.320
Base-Backbone interact. energy: -0.622
local terms energy: -59.240138
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -3.979
tors. eta vs tors. theta energy: -9.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -87.413164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.413164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.413164 (E_RNA)
where:
Base-Base interactions energy: -37.383
where: short stacking energy: -30.833
Base-Backbone interact. energy: -0.542
local terms energy: -49.488707
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -10.432
flat angles P-C4'-P energy: -5.186
tors. eta vs tors. theta energy: -1.649
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: 426
Temperature: 1.250000
Total energy: -96.677361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.677361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.677361 (E_RNA)
where:
Base-Base interactions energy: -50.857
where: short stacking energy: -28.851
Base-Backbone interact. energy: 1.856
local terms energy: -47.676121
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -10.699
flat angles P-C4'-P energy: -6.827
tors. eta vs tors. theta energy: -2.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -77.347815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.347815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.347815 (E_RNA)
where:
Base-Base interactions energy: -37.335
where: short stacking energy: -28.829
Base-Backbone interact. energy: 2.205
local terms energy: -42.217832
where:
bonds (distance) C4'-P energy: -11.514
bonds (distance) P-C4' energy: -12.869
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -5.975
tors. eta vs tors. theta energy: 2.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -75.063170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.063170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.063170 (E_RNA)
where:
Base-Base interactions energy: -29.670
where: short stacking energy: -25.365
Base-Backbone interact. energy: -0.241
local terms energy: -45.152193
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -7.337
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -2.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -225.029759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.029759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.029759 (E_RNA)
where:
Base-Base interactions energy: -139.935
where: short stacking energy: -70.403
Base-Backbone interact. energy: -2.572
local terms energy: -82.523138
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -13.968
tors. eta vs tors. theta energy: -21.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -221.421243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.421243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.421243 (E_RNA)
where:
Base-Base interactions energy: -143.226
where: short stacking energy: -67.643
Base-Backbone interact. energy: -0.037
local terms energy: -78.157894
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -18.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -203.249982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.249982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.249982 (E_RNA)
where:
Base-Base interactions energy: -136.455
where: short stacking energy: -60.163
Base-Backbone interact. energy: -1.131
local terms energy: -65.663803
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -7.701
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: 4, replica: 6
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -207.889452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.889452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.889452 (E_RNA)
where:
Base-Base interactions energy: -142.222
where: short stacking energy: -48.325
Base-Backbone interact. energy: -1.052
local terms energy: -64.616278
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -12.625
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: 5, replica: 7
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -170.909946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.909946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.909946 (E_RNA)
where:
Base-Base interactions energy: -110.885
where: short stacking energy: -45.023
Base-Backbone interact. energy: -0.240
local terms energy: -59.784507
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -12.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -95.828269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.828269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.828269 (E_RNA)
where:
Base-Base interactions energy: -36.703
where: short stacking energy: -34.989
Base-Backbone interact. energy: -0.267
local terms energy: -58.857927
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -10.004
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -7.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -88.609760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.609760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.609760 (E_RNA)
where:
Base-Base interactions energy: -36.352
where: short stacking energy: -25.208
Base-Backbone interact. energy: -0.226
local terms energy: -52.031681
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -0.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -115.270974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.270974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.270974 (E_RNA)
where:
Base-Base interactions energy: -60.945
where: short stacking energy: -40.844
Base-Backbone interact. energy: -0.123
local terms energy: -54.203015
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -11.187
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -3.927
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: 10
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -85.598607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.598607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.598607 (E_RNA)
where:
Base-Base interactions energy: -36.471
where: short stacking energy: -36.471
Base-Backbone interact. energy: -0.117
local terms energy: -49.010509
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -7.152
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -7.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -87.360956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.360956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.360956 (E_RNA)
where:
Base-Base interactions energy: -42.803
where: short stacking energy: -23.651
Base-Backbone interact. energy: -0.118
local terms energy: -44.440197
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -10.119
flat angles P-C4'-P energy: -6.005
tors. eta vs tors. theta energy: -3.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -223.697296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.697296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.697296 (E_RNA)
where:
Base-Base interactions energy: -148.277
where: short stacking energy: -74.919
Base-Backbone interact. energy: -0.910
local terms energy: -74.510706
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -21.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -221.897681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.897681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.897681 (E_RNA)
where:
Base-Base interactions energy: -142.635
where: short stacking energy: -68.267
Base-Backbone interact. energy: -0.339
local terms energy: -78.924547
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -20.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -214.473123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.473123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.473123 (E_RNA)
where:
Base-Base interactions energy: -143.615
where: short stacking energy: -72.396
Base-Backbone interact. energy: -0.367
local terms energy: -70.491411
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -10.086
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -18.857
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: 8
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -211.146733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.146733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.146733 (E_RNA)
where:
Base-Base interactions energy: -137.300
where: short stacking energy: -61.215
Base-Backbone interact. energy: -1.276
local terms energy: -72.570906
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -13.953
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -13.483
tors. eta vs tors. theta energy: -18.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -168.490933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.490933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.490933 (E_RNA)
where:
Base-Base interactions energy: -107.872
where: short stacking energy: -53.151
Base-Backbone interact. energy: -1.126
local terms energy: -59.492852
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -9.010
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: 6, replica: 1
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -97.368726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.368726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.368726 (E_RNA)
where:
Base-Base interactions energy: -47.144
where: short stacking energy: -31.119
Base-Backbone interact. energy: -0.043
local terms energy: -50.181391
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -4.134
tors. eta vs tors. theta energy: -1.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -84.319000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.319000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.319000 (E_RNA)
where:
Base-Base interactions energy: -33.575
where: short stacking energy: -28.908
Base-Backbone interact. energy: -1.239
local terms energy: -49.504870
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -11.327
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: -5.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -99.372769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.372769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.372769 (E_RNA)
where:
Base-Base interactions energy: -44.187
where: short stacking energy: -29.933
Base-Backbone interact. energy: 0.339
local terms energy: -55.525375
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -5.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -122.181245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.181245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.181245 (E_RNA)
where:
Base-Base interactions energy: -74.894
where: short stacking energy: -43.751
Base-Backbone interact. energy: -0.251
local terms energy: -47.035791
where:
bonds (distance) C4'-P energy: -8.895
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -5.050
tors. eta vs tors. theta energy: -6.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -85.335541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.335541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.335541 (E_RNA)
where:
Base-Base interactions energy: -42.468
where: short stacking energy: -37.209
Base-Backbone interact. energy: -0.124
local terms energy: -42.743821
where:
bonds (distance) C4'-P energy: -9.367
bonds (distance) P-C4' energy: -10.794
flat angles C4'-P-C4' energy: -7.303
flat angles P-C4'-P energy: -5.863
tors. eta vs tors. theta energy: -9.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -229.603893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.603893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.603893 (E_RNA)
where:
Base-Base interactions energy: -151.094
where: short stacking energy: -68.770
Base-Backbone interact. energy: -0.659
local terms energy: -77.851075
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -16.711
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -21.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -228.373011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.373011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.373011 (E_RNA)
where:
Base-Base interactions energy: -149.316
where: short stacking energy: -77.358
Base-Backbone interact. energy: -0.009
local terms energy: -79.048228
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: -19.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -213.797087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.797087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.797087 (E_RNA)
where:
Base-Base interactions energy: -149.166
where: short stacking energy: -58.524
Base-Backbone interact. energy: -0.128
local terms energy: -64.503313
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -11.425
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -6.034
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: 8
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -209.281284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.281284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.281284 (E_RNA)
where:
Base-Base interactions energy: -139.934
where: short stacking energy: -62.655
Base-Backbone interact. energy: -0.126
local terms energy: -69.221304
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -17.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -186.192984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.192984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.192984 (E_RNA)
where:
Base-Base interactions energy: -110.930
where: short stacking energy: -63.266
Base-Backbone interact. energy: -0.136
local terms energy: -75.127859
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -17.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -100.908447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.908447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.908447 (E_RNA)
where:
Base-Base interactions energy: -42.820
where: short stacking energy: -42.614
Base-Backbone interact. energy: -0.074
local terms energy: -58.014605
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -3.629
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: 7, replica: 1
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -87.904095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.904095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.904095 (E_RNA)
where:
Base-Base interactions energy: -31.761
where: short stacking energy: -20.792
Base-Backbone interact. energy: -0.707
local terms energy: -55.435822
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -1.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -129.284193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.284193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.284193 (E_RNA)
where:
Base-Base interactions energy: -72.896
where: short stacking energy: -27.400
Base-Backbone interact. energy: -0.485
local terms energy: -55.903673
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -4.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -79.078688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.078688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.078688 (E_RNA)
where:
Base-Base interactions energy: -27.951
where: short stacking energy: -22.353
Base-Backbone interact. energy: -1.547
local terms energy: -49.580447
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -8.965
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -4.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -84.669035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.669035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.669035 (E_RNA)
where:
Base-Base interactions energy: -35.378
where: short stacking energy: -35.378
Base-Backbone interact. energy: 0.309
local terms energy: -49.599856
where:
bonds (distance) C4'-P energy: -7.689
bonds (distance) P-C4' energy: -17.454
flat angles C4'-P-C4' energy: -12.202
flat angles P-C4'-P energy: -6.632
tors. eta vs tors. theta energy: -5.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -224.891882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.891882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.891882 (E_RNA)
where:
Base-Base interactions energy: -143.270
where: short stacking energy: -69.776
Base-Backbone interact. energy: -0.000
local terms energy: -81.622017
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -21.628
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: 9
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -219.268080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.268080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.268080 (E_RNA)
where:
Base-Base interactions energy: -145.114
where: short stacking energy: -73.281
Base-Backbone interact. energy: 0.017
local terms energy: -74.170391
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -20.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -209.446362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.446362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.446362 (E_RNA)
where:
Base-Base interactions energy: -135.760
where: short stacking energy: -60.707
Base-Backbone interact. energy: -0.025
local terms energy: -73.661484
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -13.071
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: 4, replica: 8
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -209.819378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.819378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.819378 (E_RNA)
where:
Base-Base interactions energy: -141.234
where: short stacking energy: -65.183
Base-Backbone interact. energy: -0.895
local terms energy: -67.690282
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -13.779
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -17.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -170.808546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.808546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.808546 (E_RNA)
where:
Base-Base interactions energy: -109.861
where: short stacking energy: -52.242
Base-Backbone interact. energy: -0.310
local terms energy: -60.637892
where:
bonds (distance) C4'-P energy: -9.474
bonds (distance) P-C4' energy: -11.238
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -13.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -99.839062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.839062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.839062 (E_RNA)
where:
Base-Base interactions energy: -46.122
where: short stacking energy: -37.154
Base-Backbone interact. energy: -0.925
local terms energy: -52.792214
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -14.524
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -6.833
tors. eta vs tors. theta energy: -5.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -134.688472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.688472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.688472 (E_RNA)
where:
Base-Base interactions energy: -73.375
where: short stacking energy: -29.303
Base-Backbone interact. energy: -0.211
local terms energy: -61.102046
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -4.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -96.509458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.509458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.509458 (E_RNA)
where:
Base-Base interactions energy: -43.846
where: short stacking energy: -39.125
Base-Backbone interact. energy: -0.054
local terms energy: -52.609105
where:
bonds (distance) C4'-P energy: -8.364
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -4.390
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: 5
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -82.080984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.080984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.080984 (E_RNA)
where:
Base-Base interactions energy: -34.154
where: short stacking energy: -26.270
Base-Backbone interact. energy: -0.426
local terms energy: -47.500611
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: 0.596
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: 10, replica: 4
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -74.092003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.092003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.092003 (E_RNA)
where:
Base-Base interactions energy: -26.550
where: short stacking energy: -26.550
Base-Backbone interact. energy: -0.013
local terms energy: -47.528091
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -0.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -229.723757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.723757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.723757 (E_RNA)
where:
Base-Base interactions energy: -153.388
where: short stacking energy: -81.465
Base-Backbone interact. energy: -0.007
local terms energy: -76.328345
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -20.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -212.445940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.445940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.445940 (E_RNA)
where:
Base-Base interactions energy: -144.554
where: short stacking energy: -57.320
Base-Backbone interact. energy: -0.582
local terms energy: -67.309577
where:
bonds (distance) C4'-P energy: -10.734
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -16.057
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: 9
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -221.227087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.227087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.227087 (E_RNA)
where:
Base-Base interactions energy: -143.881
where: short stacking energy: -64.830
Base-Backbone interact. energy: -0.320
local terms energy: -77.026014
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -24.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -176.562663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.562663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.562663 (E_RNA)
where:
Base-Base interactions energy: -104.075
where: short stacking energy: -44.903
Base-Backbone interact. energy: -0.069
local terms energy: -72.419131
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -13.073
tors. eta vs tors. theta energy: -16.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -197.871088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.871088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.871088 (E_RNA)
where:
Base-Base interactions energy: -124.734
where: short stacking energy: -51.270
Base-Backbone interact. energy: -0.008
local terms energy: -73.129980
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -4.981
tors. eta vs tors. theta energy: -17.879
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: 10
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -151.201391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.201391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.201391 (E_RNA)
where:
Base-Base interactions energy: -88.314
where: short stacking energy: -40.816
Base-Backbone interact. energy: -0.019
local terms energy: -62.868558
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -10.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -101.989597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.989597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.989597 (E_RNA)
where:
Base-Base interactions energy: -55.813
where: short stacking energy: -21.637
Base-Backbone interact. energy: -0.193
local terms energy: -45.984176
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -10.295
flat angles P-C4'-P energy: -4.934
tors. eta vs tors. theta energy: -2.738
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: 1
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -90.395226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.395226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.395226 (E_RNA)
where:
Base-Base interactions energy: -37.621
where: short stacking energy: -30.088
Base-Backbone interact. energy: -0.133
local terms energy: -52.641494
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -12.079
flat angles P-C4'-P energy: -4.738
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: 9, replica: 5
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -72.414381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.414381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.414381 (E_RNA)
where:
Base-Base interactions energy: -25.680
where: short stacking energy: -24.184
Base-Backbone interact. energy: -0.161
local terms energy: -46.573739
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -11.012
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -1.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -75.900813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.900813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.900813 (E_RNA)
where:
Base-Base interactions energy: -26.134
where: short stacking energy: -20.595
Base-Backbone interact. energy: -0.251
local terms energy: -49.515955
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -9.815
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: -5.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -228.275702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.275702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.275702 (E_RNA)
where:
Base-Base interactions energy: -147.115
where: short stacking energy: -61.772
Base-Backbone interact. energy: -1.041
local terms energy: -80.119340
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -18.624
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: 2
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -226.348908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.348908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.348908 (E_RNA)
where:
Base-Base interactions energy: -142.902
where: short stacking energy: -74.593
Base-Backbone interact. energy: -0.070
local terms energy: -83.377609
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -20.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -211.024949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.024949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.024949 (E_RNA)
where:
Base-Base interactions energy: -134.010
where: short stacking energy: -62.307
Base-Backbone interact. energy: -0.705
local terms energy: -76.310283
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -20.250
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: 4, replica: 7
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -183.765767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.765767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.765767 (E_RNA)
where:
Base-Base interactions energy: -115.726
where: short stacking energy: -59.468
Base-Backbone interact. energy: -0.933
local terms energy: -67.106821
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -13.019
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -14.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -199.544441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.544441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.544441 (E_RNA)
where:
Base-Base interactions energy: -144.749
where: short stacking energy: -52.809
Base-Backbone interact. energy: 1.116
local terms energy: -55.911980
where:
bonds (distance) C4'-P energy: -8.026
bonds (distance) P-C4' energy: -13.546
flat angles C4'-P-C4' energy: -11.161
flat angles P-C4'-P energy: -9.564
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: 6, replica: 10
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -145.689552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.689552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.689552 (E_RNA)
where:
Base-Base interactions energy: -85.089
where: short stacking energy: -45.980
Base-Backbone interact. energy: -0.082
local terms energy: -60.518512
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -10.985
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -9.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -95.404578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.404578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.404578 (E_RNA)
where:
Base-Base interactions energy: -42.417
where: short stacking energy: -42.617
Base-Backbone interact. energy: -0.819
local terms energy: -52.168950
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -10.194
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -8.017
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: 432
Temperature: 1.250000
Total energy: -89.658287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.658287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.658287 (E_RNA)
where:
Base-Base interactions energy: -39.289
where: short stacking energy: -24.176
Base-Backbone interact. energy: -0.664
local terms energy: -49.705023
where:
bonds (distance) C4'-P energy: -10.050
bonds (distance) P-C4' energy: -11.191
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -2.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -85.959781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.959781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.959781 (E_RNA)
where:
Base-Base interactions energy: -36.993
where: short stacking energy: -36.993
Base-Backbone interact. energy: -0.097
local terms energy: -48.869874
where:
bonds (distance) C4'-P energy: -9.333
bonds (distance) P-C4' energy: -9.853
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -6.397
tors. eta vs tors. theta energy: -9.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -75.030725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.030725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.030725 (E_RNA)
where:
Base-Base interactions energy: -29.508
where: short stacking energy: -26.997
Base-Backbone interact. energy: -0.180
local terms energy: -45.343362
where:
bonds (distance) C4'-P energy: -9.769
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -11.493
flat angles P-C4'-P energy: -6.288
tors. eta vs tors. theta energy: -3.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -221.224064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.224064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.224064 (E_RNA)
where:
Base-Base interactions energy: -144.422
where: short stacking energy: -54.709
Base-Backbone interact. energy: -0.004
local terms energy: -76.797776
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -20.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -222.156699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.156699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.156699 (E_RNA)
where:
Base-Base interactions energy: -141.143
where: short stacking energy: -66.836
Base-Backbone interact. energy: -0.543
local terms energy: -80.471000
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -12.906
tors. eta vs tors. theta energy: -19.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -215.664026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.664026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.664026 (E_RNA)
where:
Base-Base interactions energy: -146.127
where: short stacking energy: -66.914
Base-Backbone interact. energy: -0.006
local terms energy: -69.530272
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -21.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -211.933097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.933097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.933097 (E_RNA)
where:
Base-Base interactions energy: -144.556
where: short stacking energy: -68.865
Base-Backbone interact. energy: -0.003
local terms energy: -67.374308
where:
bonds (distance) C4'-P energy: -9.567
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -21.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -171.300703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.300703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.300703 (E_RNA)
where:
Base-Base interactions energy: -100.509
where: short stacking energy: -54.102
Base-Backbone interact. energy: -0.102
local terms energy: -70.689458
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -17.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -141.541018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.541018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.541018 (E_RNA)
where:
Base-Base interactions energy: -82.602
where: short stacking energy: -38.892
Base-Backbone interact. energy: -0.045
local terms energy: -58.893744
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -11.646
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -9.637
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: 7, replica: 1
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -91.721969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.721969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.721969 (E_RNA)
where:
Base-Base interactions energy: -34.769
where: short stacking energy: -34.769
Base-Backbone interact. energy: -0.919
local terms energy: -56.033784
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -0.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -77.969965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.969965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.969965 (E_RNA)
where:
Base-Base interactions energy: -42.433
where: short stacking energy: -29.419
Base-Backbone interact. energy: -0.203
local terms energy: -35.334289
where:
bonds (distance) C4'-P energy: -8.927
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -6.538
flat angles P-C4'-P energy: -6.901
tors. eta vs tors. theta energy: -1.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -73.124895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.124895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.124895 (E_RNA)
where:
Base-Base interactions energy: -26.915
where: short stacking energy: -24.329
Base-Backbone interact. energy: -0.287
local terms energy: -45.922137
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -5.417
tors. eta vs tors. theta energy: 0.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -92.675885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.675885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.675885 (E_RNA)
where:
Base-Base interactions energy: -43.371
where: short stacking energy: -23.204
Base-Backbone interact. energy: -0.003
local terms energy: -49.301841
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -11.136
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -7.668
tors. eta vs tors. theta energy: 0.332
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: 9
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -225.413654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.413654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.413654 (E_RNA)
where:
Base-Base interactions energy: -146.003
where: short stacking energy: -70.203
Base-Backbone interact. energy: -0.008
local terms energy: -79.403207
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -20.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -215.094759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.094759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.094759 (E_RNA)
where:
Base-Base interactions energy: -137.929
where: short stacking energy: -60.460
Base-Backbone interact. energy: -0.136
local terms energy: -77.030626
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -21.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -221.776585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.776585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.776585 (E_RNA)
where:
Base-Base interactions energy: -136.891
where: short stacking energy: -62.273
Base-Backbone interact. energy: -0.862
local terms energy: -84.023975
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -13.469
tors. eta vs tors. theta energy: -21.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -210.342443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.342443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.342443 (E_RNA)
where:
Base-Base interactions energy: -141.835
where: short stacking energy: -60.567
Base-Backbone interact. energy: -0.525
local terms energy: -67.982861
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -18.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -163.706394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.706394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.706394 (E_RNA)
where:
Base-Base interactions energy: -92.018
where: short stacking energy: -51.118
Base-Backbone interact. energy: -0.104
local terms energy: -71.584389
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -15.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -149.246377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.246377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.246377 (E_RNA)
where:
Base-Base interactions energy: -85.912
where: short stacking energy: -52.497
Base-Backbone interact. energy: -0.010
local terms energy: -63.324819
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -5.289
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: 7, replica: 1
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -104.440543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.440543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.440543 (E_RNA)
where:
Base-Base interactions energy: -56.495
where: short stacking energy: -35.185
Base-Backbone interact. energy: -0.106
local terms energy: -47.839373
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -6.501
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -4.400
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: 5
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -82.506901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.506901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.506901 (E_RNA)
where:
Base-Base interactions energy: -31.909
where: short stacking energy: -31.909
Base-Backbone interact. energy: -0.365
local terms energy: -50.232401
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -6.680
tors. eta vs tors. theta energy: -2.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -86.407950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.407950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.407950 (E_RNA)
where:
Base-Base interactions energy: -40.750
where: short stacking energy: -39.890
Base-Backbone interact. energy: -0.089
local terms energy: -45.568354
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -7.406
flat angles P-C4'-P energy: -5.070
tors. eta vs tors. theta energy: -5.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -76.268405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.268405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.268405 (E_RNA)
where:
Base-Base interactions energy: -24.519
where: short stacking energy: -20.698
Base-Backbone interact. energy: -0.420
local terms energy: -51.329765
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -10.602
flat angles P-C4'-P energy: -9.004
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: 1, replica: 9
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -224.409882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.409882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.409882 (E_RNA)
where:
Base-Base interactions energy: -156.176
where: short stacking energy: -65.486
Base-Backbone interact. energy: 0.442
local terms energy: -68.676112
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -10.812
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -17.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -219.780519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.780519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.780519 (E_RNA)
where:
Base-Base interactions energy: -142.684
where: short stacking energy: -68.665
Base-Backbone interact. energy: -1.952
local terms energy: -75.144032
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -19.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -218.302101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.302101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.302101 (E_RNA)
where:
Base-Base interactions energy: -137.338
where: short stacking energy: -70.193
Base-Backbone interact. energy: -0.598
local terms energy: -80.365688
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -19.039
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: 435
Temperature: 1.050000
Total energy: -210.783460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.783460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.783460 (E_RNA)
where:
Base-Base interactions energy: -142.872
where: short stacking energy: -53.940
Base-Backbone interact. energy: -0.244
local terms energy: -67.667301
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -4.198
tors. eta vs tors. theta energy: -18.835
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: 5, replica: 7
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -186.533202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.533202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.533202 (E_RNA)
where:
Base-Base interactions energy: -113.776
where: short stacking energy: -60.862
Base-Backbone interact. energy: -0.170
local terms energy: -72.587160
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -10.258
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -19.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -126.384293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.384293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.384293 (E_RNA)
where:
Base-Base interactions energy: -77.929
where: short stacking energy: -47.098
Base-Backbone interact. energy: 4.380
local terms energy: -52.835060
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -3.622
tors. eta vs tors. theta energy: -11.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -99.138492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.138492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.138492 (E_RNA)
where:
Base-Base interactions energy: -43.846
where: short stacking energy: -39.241
Base-Backbone interact. energy: -0.081
local terms energy: -55.211698
where:
bonds (distance) C4'-P energy: -9.930
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -9.023
flat angles P-C4'-P energy: -9.099
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: 8, replica: 4
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -100.276481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.276481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.276481 (E_RNA)
where:
Base-Base interactions energy: -37.903
where: short stacking energy: -35.687
Base-Backbone interact. energy: -0.411
local terms energy: -61.962801
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -8.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -83.861786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.861786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.861786 (E_RNA)
where:
Base-Base interactions energy: -28.692
where: short stacking energy: -26.856
Base-Backbone interact. energy: -0.109
local terms energy: -55.060569
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -9.539
flat angles P-C4'-P energy: -13.625
tors. eta vs tors. theta energy: -1.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -86.366133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.366133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.366133 (E_RNA)
where:
Base-Base interactions energy: -38.014
where: short stacking energy: -36.685
Base-Backbone interact. energy: -0.048
local terms energy: -48.303203
where:
bonds (distance) C4'-P energy: -9.595
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -12.213
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -6.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -224.177406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.177406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.177406 (E_RNA)
where:
Base-Base interactions energy: -141.634
where: short stacking energy: -68.667
Base-Backbone interact. energy: -0.012
local terms energy: -82.531644
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -14.062
tors. eta vs tors. theta energy: -21.009
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: 9
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -211.963464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.963464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.963464 (E_RNA)
where:
Base-Base interactions energy: -144.416
where: short stacking energy: -68.763
Base-Backbone interact. energy: -0.226
local terms energy: -67.320658
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -13.809
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -6.173
tors. eta vs tors. theta energy: -19.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -226.684313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.684313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.684313 (E_RNA)
where:
Base-Base interactions energy: -150.943
where: short stacking energy: -70.628
Base-Backbone interact. energy: -0.008
local terms energy: -75.733365
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -17.498
flat angles P-C4'-P energy: -13.579
tors. eta vs tors. theta energy: -20.877
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: 6
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -212.047970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.047970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.047970 (E_RNA)
where:
Base-Base interactions energy: -140.921
where: short stacking energy: -73.084
Base-Backbone interact. energy: -0.064
local terms energy: -71.063571
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -17.685
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -17.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -158.356572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.356572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.356572 (E_RNA)
where:
Base-Base interactions energy: -101.905
where: short stacking energy: -58.923
Base-Backbone interact. energy: -0.131
local terms energy: -56.320869
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -13.869
flat angles C4'-P-C4' energy: -10.784
flat angles P-C4'-P energy: -9.268
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: 6, replica: 10
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -127.330741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.330741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.330741 (E_RNA)
where:
Base-Base interactions energy: -68.705
where: short stacking energy: -41.520
Base-Backbone interact. energy: -0.842
local terms energy: -57.784202
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -8.364
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: 4
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -104.556028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.556028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.556028 (E_RNA)
where:
Base-Base interactions energy: -48.109
where: short stacking energy: -41.531
Base-Backbone interact. energy: -0.680
local terms energy: -55.766984
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -6.058
tors. eta vs tors. theta energy: -10.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -93.988679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.988679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.988679 (E_RNA)
where:
Base-Base interactions energy: -45.263
where: short stacking energy: -31.998
Base-Backbone interact. energy: 1.441
local terms energy: -50.166617
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -3.193
tors. eta vs tors. theta energy: -2.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -87.528861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.528861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.528861 (E_RNA)
where:
Base-Base interactions energy: -42.695
where: short stacking energy: -36.113
Base-Backbone interact. energy: -0.354
local terms energy: -44.479971
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -10.463
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -2.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -85.504875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.504875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.504875 (E_RNA)
where:
Base-Base interactions energy: -29.115
where: short stacking energy: -30.315
Base-Backbone interact. energy: -0.603
local terms energy: -55.787065
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -8.727
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -4.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -226.058029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.058029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.058029 (E_RNA)
where:
Base-Base interactions energy: -143.463
where: short stacking energy: -71.725
Base-Backbone interact. energy: -0.586
local terms energy: -82.009445
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -13.426
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: 2
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -220.311672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.311672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.311672 (E_RNA)
where:
Base-Base interactions energy: -141.635
where: short stacking energy: -71.970
Base-Backbone interact. energy: -0.247
local terms energy: -78.430520
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -20.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -211.032766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.032766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.032766 (E_RNA)
where:
Base-Base interactions energy: -137.242
where: short stacking energy: -64.670
Base-Backbone interact. energy: -0.305
local terms energy: -73.485334
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -9.069
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: 4, replica: 6
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -211.235885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.235885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.235885 (E_RNA)
where:
Base-Base interactions energy: -142.952
where: short stacking energy: -59.121
Base-Backbone interact. energy: -0.683
local terms energy: -67.601351
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -10.487
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -19.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -183.055481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.055481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.055481 (E_RNA)
where:
Base-Base interactions energy: -108.223
where: short stacking energy: -60.130
Base-Backbone interact. energy: 0.420
local terms energy: -75.252368
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -17.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -112.253524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.253524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.253524 (E_RNA)
where:
Base-Base interactions energy: -66.266
where: short stacking energy: -31.248
Base-Backbone interact. energy: -0.878
local terms energy: -45.109742
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -8.545
flat angles P-C4'-P energy: -4.608
tors. eta vs tors. theta energy: -4.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -107.189733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.189733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.189733 (E_RNA)
where:
Base-Base interactions energy: -51.202
where: short stacking energy: -33.591
Base-Backbone interact. energy: 0.591
local terms energy: -56.578997
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -2.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -81.533634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.533634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.533634 (E_RNA)
where:
Base-Base interactions energy: -33.029
where: short stacking energy: -24.377
Base-Backbone interact. energy: -0.159
local terms energy: -48.345992
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -9.940
flat angles P-C4'-P energy: -10.327
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: 9, replica: 1
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -91.177712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.177712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.177712 (E_RNA)
where:
Base-Base interactions energy: -32.686
where: short stacking energy: -32.686
Base-Backbone interact. energy: -0.195
local terms energy: -58.296300
where:
bonds (distance) C4'-P energy: -11.398
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -12.577
tors. eta vs tors. theta energy: -7.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -77.275933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.275933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.275933 (E_RNA)
where:
Base-Base interactions energy: -30.164
where: short stacking energy: -30.164
Base-Backbone interact. energy: -0.078
local terms energy: -47.034573
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -5.533
tors. eta vs tors. theta energy: -1.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -224.429281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.429281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.429281 (E_RNA)
where:
Base-Base interactions energy: -146.335
where: short stacking energy: -70.714
Base-Backbone interact. energy: -0.028
local terms energy: -78.065670
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -13.619
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -12.100
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: 2, replica: 2
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -209.237163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.237163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.237163 (E_RNA)
where:
Base-Base interactions energy: -143.289
where: short stacking energy: -68.756
Base-Backbone interact. energy: -0.052
local terms energy: -65.895932
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -13.742
flat angles C4'-P-C4' energy: -9.050
flat angles P-C4'-P energy: -12.891
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: 9
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -214.997371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.997371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.997371 (E_RNA)
where:
Base-Base interactions energy: -140.508
where: short stacking energy: -62.908
Base-Backbone interact. energy: -0.102
local terms energy: -74.386613
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -20.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -215.392513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.392513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.392513 (E_RNA)
where:
Base-Base interactions energy: -143.171
where: short stacking energy: -67.456
Base-Backbone interact. energy: -0.001
local terms energy: -72.220373
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -5.231
tors. eta vs tors. theta energy: -19.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -121.182198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.182198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.182198 (E_RNA)
where:
Base-Base interactions energy: -61.049
where: short stacking energy: -38.904
Base-Backbone interact. energy: -0.375
local terms energy: -59.758251
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -6.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -171.037378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.037378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.037378 (E_RNA)
where:
Base-Base interactions energy: -110.738
where: short stacking energy: -44.999
Base-Backbone interact. energy: -0.167
local terms energy: -60.133156
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -9.288
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: 5
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -92.210150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.210150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.210150 (E_RNA)
where:
Base-Base interactions energy: -36.244
where: short stacking energy: -36.244
Base-Backbone interact. energy: -0.128
local terms energy: -55.838536
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -8.196
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: 8, replica: 10
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -85.708038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.708038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.708038 (E_RNA)
where:
Base-Base interactions energy: -31.609
where: short stacking energy: -30.890
Base-Backbone interact. energy: -0.140
local terms energy: -53.959817
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -6.391
tors. eta vs tors. theta energy: -4.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -73.400339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.400339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.400339 (E_RNA)
where:
Base-Base interactions energy: -33.061
where: short stacking energy: -32.014
Base-Backbone interact. energy: -0.038
local terms energy: -40.301264
where:
bonds (distance) C4'-P energy: -10.295
bonds (distance) P-C4' energy: -9.298
flat angles C4'-P-C4' energy: -10.191
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -2.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -96.070924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.070924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.070924 (E_RNA)
where:
Base-Base interactions energy: -44.778
where: short stacking energy: -44.778
Base-Backbone interact. energy: -0.096
local terms energy: -51.196349
where:
bonds (distance) C4'-P energy: -11.402
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -8.578
flat angles P-C4'-P energy: -8.990
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: 1, replica: 8
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -222.677217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.677217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.677217 (E_RNA)
where:
Base-Base interactions energy: -150.578
where: short stacking energy: -65.485
Base-Backbone interact. energy: -0.015
local terms energy: -72.083675
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: -17.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -217.606212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.606212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.606212 (E_RNA)
where:
Base-Base interactions energy: -145.858
where: short stacking energy: -68.359
Base-Backbone interact. energy: -0.570
local terms energy: -71.178834
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -17.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -215.975390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.975390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.975390 (E_RNA)
where:
Base-Base interactions energy: -144.975
where: short stacking energy: -60.811
Base-Backbone interact. energy: -0.021
local terms energy: -70.979381
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -14.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -209.477884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.477884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.477884 (E_RNA)
where:
Base-Base interactions energy: -136.254
where: short stacking energy: -61.547
Base-Backbone interact. energy: -0.040
local terms energy: -73.183628
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -10.367
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: 5, replica: 4
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -144.466546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.466546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.466546 (E_RNA)
where:
Base-Base interactions energy: -67.059
where: short stacking energy: -46.965
Base-Backbone interact. energy: -1.361
local terms energy: -76.046684
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -13.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -150.023813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.023813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.023813 (E_RNA)
where:
Base-Base interactions energy: -90.987
where: short stacking energy: -41.609
Base-Backbone interact. energy: -1.720
local terms energy: -57.316666
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -8.703
flat angles P-C4'-P energy: -14.969
tors. eta vs tors. theta energy: -5.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -94.106375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.106375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.106375 (E_RNA)
where:
Base-Base interactions energy: -36.077
where: short stacking energy: -33.904
Base-Backbone interact. energy: -0.111
local terms energy: -57.918350
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -11.935
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -10.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -87.024151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.024151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.024151 (E_RNA)
where:
Base-Base interactions energy: -44.701
where: short stacking energy: -34.186
Base-Backbone interact. energy: -0.038
local terms energy: -42.285206
where:
bonds (distance) C4'-P energy: -8.379
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -8.746
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: -3.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -80.994228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.994228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.994228 (E_RNA)
where:
Base-Base interactions energy: -26.209
where: short stacking energy: -23.792
Base-Backbone interact. energy: -1.608
local terms energy: -53.177571
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -1.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -76.678114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.678114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.678114 (E_RNA)
where:
Base-Base interactions energy: -29.651
where: short stacking energy: -18.660
Base-Backbone interact. energy: -1.608
local terms energy: -45.418468
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: 5.522
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: 440
Temperature: 0.900000
Total energy: -231.889782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.889782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.889782 (E_RNA)
where:
Base-Base interactions energy: -149.112
where: short stacking energy: -72.597
Base-Backbone interact. energy: -0.042
local terms energy: -82.735683
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -14.642
tors. eta vs tors. theta energy: -22.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -217.991527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.991527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.991527 (E_RNA)
where:
Base-Base interactions energy: -145.022
where: short stacking energy: -71.837
Base-Backbone interact. energy: -0.755
local terms energy: -72.214999
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -19.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -214.933240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.933240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.933240 (E_RNA)
where:
Base-Base interactions energy: -139.653
where: short stacking energy: -68.407
Base-Backbone interact. energy: -0.736
local terms energy: -74.544685
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -19.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -208.121561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.121561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.121561 (E_RNA)
where:
Base-Base interactions energy: -129.387
where: short stacking energy: -63.073
Base-Backbone interact. energy: -0.018
local terms energy: -78.717009
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -10.559
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: 5, replica: 7
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -169.377476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.377476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.377476 (E_RNA)
where:
Base-Base interactions energy: -108.839
where: short stacking energy: -58.980
Base-Backbone interact. energy: -0.630
local terms energy: -59.909019
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -13.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -116.625807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.625807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.625807 (E_RNA)
where:
Base-Base interactions energy: -60.001
where: short stacking energy: -37.464
Base-Backbone interact. energy: -1.322
local terms energy: -55.303228
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -8.642
flat angles P-C4'-P energy: -6.391
tors. eta vs tors. theta energy: -9.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -102.906848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.906848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.906848 (E_RNA)
where:
Base-Base interactions energy: -49.443
where: short stacking energy: -41.350
Base-Backbone interact. energy: -1.005
local terms energy: -52.458753
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -3.172
tors. eta vs tors. theta energy: -5.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -86.774989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.774989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.774989 (E_RNA)
where:
Base-Base interactions energy: -31.891
where: short stacking energy: -30.130
Base-Backbone interact. energy: -0.240
local terms energy: -54.644629
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -13.910
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -8.598
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: 9, replica: 10
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -90.955011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.955011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.955011 (E_RNA)
where:
Base-Base interactions energy: -41.148
where: short stacking energy: -30.522
Base-Backbone interact. energy: 0.768
local terms energy: -50.575524
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -10.326
flat angles P-C4'-P energy: -2.207
tors. eta vs tors. theta energy: -9.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -89.167352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.167352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.167352 (E_RNA)
where:
Base-Base interactions energy: -41.938
where: short stacking energy: -33.836
Base-Backbone interact. energy: 1.122
local terms energy: -48.351303
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -10.452
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: -6.098
tors. eta vs tors. theta energy: -7.372
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: 441
Temperature: 0.900000
Total energy: -221.795819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.795819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.795819 (E_RNA)
where:
Base-Base interactions energy: -140.505
where: short stacking energy: -72.678
Base-Backbone interact. energy: -0.000
local terms energy: -81.290662
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -10.680
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: 2, replica: 8
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -218.478434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.478434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.478434 (E_RNA)
where:
Base-Base interactions energy: -142.640
where: short stacking energy: -70.152
Base-Backbone interact. energy: -0.290
local terms energy: -75.548800
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -19.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -221.658019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.658019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.658019 (E_RNA)
where:
Base-Base interactions energy: -147.173
where: short stacking energy: -65.312
Base-Backbone interact. energy: -0.130
local terms energy: -74.354755
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -18.920
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: 2
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -205.491624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.491624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.491624 (E_RNA)
where:
Base-Base interactions energy: -140.894
where: short stacking energy: -58.974
Base-Backbone interact. energy: -0.017
local terms energy: -64.580929
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -3.691
tors. eta vs tors. theta energy: -18.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -165.989018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.989018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.989018 (E_RNA)
where:
Base-Base interactions energy: -104.593
where: short stacking energy: -55.000
Base-Backbone interact. energy: 0.483
local terms energy: -61.879860
where:
bonds (distance) C4'-P energy: -9.077
bonds (distance) P-C4' energy: -15.555
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -12.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -93.165208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.165208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.165208 (E_RNA)
where:
Base-Base interactions energy: -34.441
where: short stacking energy: -34.441
Base-Backbone interact. energy: -0.089
local terms energy: -58.635021
where:
bonds (distance) C4'-P energy: -9.549
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -13.834
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: 7, replica: 5
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -98.982239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.982239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.982239 (E_RNA)
where:
Base-Base interactions energy: -49.668
where: short stacking energy: -25.602
Base-Backbone interact. energy: -0.532
local terms energy: -48.781657
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -6.214
tors. eta vs tors. theta energy: 0.271
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: 10
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -81.509724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.509724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.509724 (E_RNA)
where:
Base-Base interactions energy: -33.837
where: short stacking energy: -33.837
Base-Backbone interact. energy: -0.100
local terms energy: -47.572369
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -8.145
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -4.955
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: 9, replica: 3
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -83.483428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.483428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.483428 (E_RNA)
where:
Base-Base interactions energy: -39.572
where: short stacking energy: -33.445
Base-Backbone interact. energy: -0.241
local terms energy: -43.670140
where:
bonds (distance) C4'-P energy: -8.766
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: 2.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -73.922029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.922029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.922029 (E_RNA)
where:
Base-Base interactions energy: -28.886
where: short stacking energy: -24.074
Base-Backbone interact. energy: 0.561
local terms energy: -45.596876
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -10.583
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: 1.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -229.465942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.465942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.465942 (E_RNA)
where:
Base-Base interactions energy: -145.849
where: short stacking energy: -66.970
Base-Backbone interact. energy: -0.523
local terms energy: -83.094855
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -19.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -223.353957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.353957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.353957 (E_RNA)
where:
Base-Base interactions energy: -144.532
where: short stacking energy: -71.232
Base-Backbone interact. energy: -1.783
local terms energy: -77.038251
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -11.958
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -22.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -206.957755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.957755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.957755 (E_RNA)
where:
Base-Base interactions energy: -138.308
where: short stacking energy: -64.374
Base-Backbone interact. energy: -0.660
local terms energy: -67.989848
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -14.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -207.755145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.755145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.755145 (E_RNA)
where:
Base-Base interactions energy: -144.299
where: short stacking energy: -62.095
Base-Backbone interact. energy: -0.700
local terms energy: -62.756204
where:
bonds (distance) C4'-P energy: -10.863
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -5.011
tors. eta vs tors. theta energy: -20.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -103.262709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.262709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.262709 (E_RNA)
where:
Base-Base interactions energy: -47.903
where: short stacking energy: -42.451
Base-Backbone interact. energy: 0.823
local terms energy: -56.182753
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -11.925
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -7.156
tors. eta vs tors. theta energy: -7.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -171.478358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.478358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.478358 (E_RNA)
where:
Base-Base interactions energy: -99.534
where: short stacking energy: -50.731
Base-Backbone interact. energy: -0.583
local terms energy: -71.361705
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -10.412
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: 7, replica: 10
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -89.328785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.328785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.328785 (E_RNA)
where:
Base-Base interactions energy: -41.008
where: short stacking energy: -36.201
Base-Backbone interact. energy: -0.190
local terms energy: -48.131116
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -11.608
flat angles P-C4'-P energy: -6.101
tors. eta vs tors. theta energy: -1.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -84.468900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.468900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.468900 (E_RNA)
where:
Base-Base interactions energy: -32.387
where: short stacking energy: -32.387
Base-Backbone interact. energy: -0.078
local terms energy: -52.003937
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -6.425
tors. eta vs tors. theta energy: -3.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -99.904560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.904560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.904560 (E_RNA)
where:
Base-Base interactions energy: -43.760
where: short stacking energy: -35.866
Base-Backbone interact. energy: -0.106
local terms energy: -56.038796
where:
bonds (distance) C4'-P energy: -9.284
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -4.534
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: 10, replica: 3
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -90.153931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.153931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.153931 (E_RNA)
where:
Base-Base interactions energy: -34.967
where: short stacking energy: -34.967
Base-Backbone interact. energy: -0.022
local terms energy: -55.165797
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -9.512
flat angles P-C4'-P energy: -7.239
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: 1, replica: 8
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -230.412999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.412999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.412999 (E_RNA)
where:
Base-Base interactions energy: -151.763
where: short stacking energy: -76.068
Base-Backbone interact. energy: -1.027
local terms energy: -77.622586
where:
bonds (distance) C4'-P energy: -10.874
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -21.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -220.206358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.206358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.206358 (E_RNA)
where:
Base-Base interactions energy: -147.057
where: short stacking energy: -61.378
Base-Backbone interact. energy: -1.251
local terms energy: -71.899044
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -12.123
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: 3, replica: 9
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -212.614363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.614363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.614363 (E_RNA)
where:
Base-Base interactions energy: -132.802
where: short stacking energy: -54.926
Base-Backbone interact. energy: 0.016
local terms energy: -79.828671
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -19.128
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -19.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -210.426038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.426038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.426038 (E_RNA)
where:
Base-Base interactions energy: -138.316
where: short stacking energy: -69.022
Base-Backbone interact. energy: -0.002
local terms energy: -72.108465
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -13.916
tors. eta vs tors. theta energy: -19.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -91.998357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.998357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.998357 (E_RNA)
where:
Base-Base interactions energy: -31.141
where: short stacking energy: -32.141
Base-Backbone interact. energy: 0.077
local terms energy: -60.934092
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -2.911
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: 6, replica: 7
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -156.912220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.912220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.912220 (E_RNA)
where:
Base-Base interactions energy: -93.955
where: short stacking energy: -47.636
Base-Backbone interact. energy: -0.519
local terms energy: -62.438649
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -9.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -95.260808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.260808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.260808 (E_RNA)
where:
Base-Base interactions energy: -34.290
where: short stacking energy: -34.290
Base-Backbone interact. energy: -0.072
local terms energy: -60.898757
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -9.804
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: 8, replica: 1
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -87.321289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.321289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.321289 (E_RNA)
where:
Base-Base interactions energy: -40.239
where: short stacking energy: -40.239
Base-Backbone interact. energy: -0.005
local terms energy: -47.077955
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -7.511
flat angles P-C4'-P energy: -2.945
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: 9, replica: 5
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -81.325528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.325528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.325528 (E_RNA)
where:
Base-Base interactions energy: -24.709
where: short stacking energy: -24.709
Base-Backbone interact. energy: -0.014
local terms energy: -56.602830
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -3.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -85.711280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.711280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.711280 (E_RNA)
where:
Base-Base interactions energy: -33.940
where: short stacking energy: -31.101
Base-Backbone interact. energy: -0.005
local terms energy: -51.765961
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -10.330
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -3.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -222.256438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.256438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.256438 (E_RNA)
where:
Base-Base interactions energy: -144.166
where: short stacking energy: -71.515
Base-Backbone interact. energy: -0.023
local terms energy: -78.067827
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -18.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -216.447111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.447111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.447111 (E_RNA)
where:
Base-Base interactions energy: -141.441
where: short stacking energy: -59.267
Base-Backbone interact. energy: -0.012
local terms energy: -74.994232
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -21.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -217.180517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.180517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.180517 (E_RNA)
where:
Base-Base interactions energy: -147.346
where: short stacking energy: -63.717
Base-Backbone interact. energy: -0.079
local terms energy: -69.755430
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -6.469
tors. eta vs tors. theta energy: -18.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -206.809985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.809985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.809985 (E_RNA)
where:
Base-Base interactions energy: -138.811
where: short stacking energy: -50.988
Base-Backbone interact. energy: -1.180
local terms energy: -66.819624
where:
bonds (distance) C4'-P energy: -17.725
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: -12.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -160.061133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.061133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.061133 (E_RNA)
where:
Base-Base interactions energy: -100.441
where: short stacking energy: -53.878
Base-Backbone interact. energy: 0.526
local terms energy: -60.146235
where:
bonds (distance) C4'-P energy: -8.874
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: -15.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -119.847185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.847185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.847185 (E_RNA)
where:
Base-Base interactions energy: -67.315
where: short stacking energy: -41.409
Base-Backbone interact. energy: -0.020
local terms energy: -52.512288
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -9.157
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -9.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -100.677825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.677825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.677825 (E_RNA)
where:
Base-Base interactions energy: -51.839
where: short stacking energy: -20.135
Base-Backbone interact. energy: 2.799
local terms energy: -51.637822
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -6.343
tors. eta vs tors. theta energy: 1.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -87.311809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.311809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.311809 (E_RNA)
where:
Base-Base interactions energy: -28.586
where: short stacking energy: -21.484
Base-Backbone interact. energy: -0.067
local terms energy: -58.659263
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -4.823
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: 3
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -80.878492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.878492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.878492 (E_RNA)
where:
Base-Base interactions energy: -22.294
where: short stacking energy: -19.074
Base-Backbone interact. energy: 0.116
local terms energy: -58.700393
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -4.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -81.449875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.449875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.449875 (E_RNA)
where:
Base-Base interactions energy: -27.150
where: short stacking energy: -27.150
Base-Backbone interact. energy: -0.315
local terms energy: -53.984514
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -2.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -220.911713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.911713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.911713 (E_RNA)
where:
Base-Base interactions energy: -142.343
where: short stacking energy: -68.600
Base-Backbone interact. energy: -0.239
local terms energy: -78.329191
where:
bonds (distance) C4'-P energy: -10.771
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -13.674
tors. eta vs tors. theta energy: -19.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -213.100126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.100126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.100126 (E_RNA)
where:
Base-Base interactions energy: -156.517
where: short stacking energy: -49.620
Base-Backbone interact. energy: -0.347
local terms energy: -56.235420
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -1.615
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: 3, replica: 8
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -208.580145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.580145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.580145 (E_RNA)
where:
Base-Base interactions energy: -143.689
where: short stacking energy: -62.040
Base-Backbone interact. energy: -0.025
local terms energy: -64.866613
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -16.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -207.249883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.249883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.249883 (E_RNA)
where:
Base-Base interactions energy: -138.335
where: short stacking energy: -63.316
Base-Backbone interact. energy: -0.046
local terms energy: -68.868940
where:
bonds (distance) C4'-P energy: -7.793
bonds (distance) P-C4' energy: -17.959
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -10.518
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: 7
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -179.656584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.656584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.656584 (E_RNA)
where:
Base-Base interactions energy: -112.038
where: short stacking energy: -62.251
Base-Backbone interact. energy: 0.243
local terms energy: -67.861362
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -10.673
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -18.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -103.393219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.393219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.393219 (E_RNA)
where:
Base-Base interactions energy: -43.367
where: short stacking energy: -38.062
Base-Backbone interact. energy: -0.099
local terms energy: -59.927117
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -10.984
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -9.133
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: 445
Temperature: 1.200000
Total energy: -112.754489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.754489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.754489 (E_RNA)
where:
Base-Base interactions energy: -53.996
where: short stacking energy: -39.055
Base-Backbone interact. energy: -0.151
local terms energy: -58.607232
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -9.448
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -10.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -87.605525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.605525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.605525 (E_RNA)
where:
Base-Base interactions energy: -46.600
where: short stacking energy: -37.862
Base-Backbone interact. energy: -0.344
local terms energy: -40.661721
where:
bonds (distance) C4'-P energy: -11.972
bonds (distance) P-C4' energy: -7.978
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -5.893
tors. eta vs tors. theta energy: -2.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -82.932539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.932539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.932539 (E_RNA)
where:
Base-Base interactions energy: -34.670
where: short stacking energy: -19.900
Base-Backbone interact. energy: -0.295
local terms energy: -47.967041
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -0.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -73.302055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.302055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.302055 (E_RNA)
where:
Base-Base interactions energy: -20.656
where: short stacking energy: -19.394
Base-Backbone interact. energy: -0.860
local terms energy: -51.786363
where:
bonds (distance) C4'-P energy: -10.566
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -1.533
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: 2
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -229.936295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.936295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.936295 (E_RNA)
where:
Base-Base interactions energy: -152.587
where: short stacking energy: -72.561
Base-Backbone interact. energy: -1.398
local terms energy: -75.951296
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -19.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -216.640870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.640870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.640870 (E_RNA)
where:
Base-Base interactions energy: -146.789
where: short stacking energy: -52.308
Base-Backbone interact. energy: -1.682
local terms energy: -68.169493
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -17.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -200.483332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.483332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.483332 (E_RNA)
where:
Base-Base interactions energy: -128.484
where: short stacking energy: -54.944
Base-Backbone interact. energy: -0.548
local terms energy: -71.451317
where:
bonds (distance) C4'-P energy: -15.414
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -10.328
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: 4, replica: 8
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -198.346936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.346936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.346936 (E_RNA)
where:
Base-Base interactions energy: -126.388
where: short stacking energy: -41.462
Base-Backbone interact. energy: -0.098
local terms energy: -71.860806
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -16.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -156.404809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.404809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.404809 (E_RNA)
where:
Base-Base interactions energy: -99.583
where: short stacking energy: -46.940
Base-Backbone interact. energy: -0.610
local terms energy: -56.211657
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -10.856
flat angles P-C4'-P energy: -4.422
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: 6, replica: 1
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -108.045932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.045932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.045932 (E_RNA)
where:
Base-Base interactions energy: -50.815
where: short stacking energy: -38.481
Base-Backbone interact. energy: 0.185
local terms energy: -57.415629
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -8.943
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -7.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -97.356613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.356613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.356613 (E_RNA)
where:
Base-Base interactions energy: -38.842
where: short stacking energy: -33.960
Base-Backbone interact. energy: 0.509
local terms energy: -59.023239
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -6.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -89.677497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.677497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.677497 (E_RNA)
where:
Base-Base interactions energy: -31.734
where: short stacking energy: -31.734
Base-Backbone interact. energy: -0.102
local terms energy: -57.841217
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -8.364
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: 446
Temperature: 1.300000
Total energy: -87.966015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.966015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.966015 (E_RNA)
where:
Base-Base interactions energy: -32.415
where: short stacking energy: -30.954
Base-Backbone interact. energy: -0.102
local terms energy: -55.448983
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -3.694
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: 10
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -76.085403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.085403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.085403 (E_RNA)
where:
Base-Base interactions energy: -29.952
where: short stacking energy: -23.712
Base-Backbone interact. energy: 0.619
local terms energy: -46.752157
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -16.680
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: 6.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -224.975983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.975983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.975983 (E_RNA)
where:
Base-Base interactions energy: -143.750
where: short stacking energy: -69.037
Base-Backbone interact. energy: -0.005
local terms energy: -81.220691
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -20.284
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: 6
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -223.718649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.718649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.718649 (E_RNA)
where:
Base-Base interactions energy: -153.883
where: short stacking energy: -65.274
Base-Backbone interact. energy: -0.460
local terms energy: -69.376276
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -15.471
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -8.427
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: 3, replica: 9
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -213.414134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.414134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.414134 (E_RNA)
where:
Base-Base interactions energy: -137.564
where: short stacking energy: -53.957
Base-Backbone interact. energy: -0.082
local terms energy: -75.767760
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -19.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -181.221037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.221037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.221037 (E_RNA)
where:
Base-Base interactions energy: -121.742
where: short stacking energy: -48.193
Base-Backbone interact. energy: -0.188
local terms energy: -59.290843
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -7.638
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: 5, replica: 7
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -155.845876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.845876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.845876 (E_RNA)
where:
Base-Base interactions energy: -87.517
where: short stacking energy: -53.561
Base-Backbone interact. energy: -0.037
local terms energy: -68.292380
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -10.289
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: 6, replica: 3
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -105.469089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.469089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.469089 (E_RNA)
where:
Base-Base interactions energy: -62.047
where: short stacking energy: -28.585
Base-Backbone interact. energy: -0.218
local terms energy: -43.204271
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: 1.209
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: 7, replica: 1
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -93.750563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.750563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.750563 (E_RNA)
where:
Base-Base interactions energy: -41.446
where: short stacking energy: -34.094
Base-Backbone interact. energy: -0.327
local terms energy: -51.978337
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -4.354
tors. eta vs tors. theta energy: -4.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -91.842512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.842512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.842512 (E_RNA)
where:
Base-Base interactions energy: -34.281
where: short stacking energy: -34.281
Base-Backbone interact. energy: -0.070
local terms energy: -57.491389
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -14.248
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -8.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -78.017629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.017629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.017629 (E_RNA)
where:
Base-Base interactions energy: -27.138
where: short stacking energy: -23.877
Base-Backbone interact. energy: -0.270
local terms energy: -50.609409
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -6.658
tors. eta vs tors. theta energy: -1.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -78.209172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.209172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.209172 (E_RNA)
where:
Base-Base interactions energy: -27.543
where: short stacking energy: -26.673
Base-Backbone interact. energy: -0.168
local terms energy: -50.498275
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -9.292
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -6.009
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: 6
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -220.659304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.659304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.659304 (E_RNA)
where:
Base-Base interactions energy: -149.476
where: short stacking energy: -68.641
Base-Backbone interact. energy: -0.054
local terms energy: -71.129064
where:
bonds (distance) C4'-P energy: -10.717
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -17.715
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -16.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -221.796536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.796536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.796536 (E_RNA)
where:
Base-Base interactions energy: -143.601
where: short stacking energy: -66.510
Base-Backbone interact. energy: -0.103
local terms energy: -78.092429
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -18.167
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: 9
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -206.708541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.708541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.708541 (E_RNA)
where:
Base-Base interactions energy: -130.315
where: short stacking energy: -58.636
Base-Backbone interact. energy: -1.790
local terms energy: -74.602911
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -18.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -190.975809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.975809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.975809 (E_RNA)
where:
Base-Base interactions energy: -117.044
where: short stacking energy: -50.308
Base-Backbone interact. energy: 0.218
local terms energy: -74.149624
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -16.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -164.749447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.749447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.749447 (E_RNA)
where:
Base-Base interactions energy: -106.423
where: short stacking energy: -41.507
Base-Backbone interact. energy: -0.138
local terms energy: -58.188288
where:
bonds (distance) C4'-P energy: -9.628
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -8.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -104.150859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.150859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.150859 (E_RNA)
where:
Base-Base interactions energy: -47.093
where: short stacking energy: -44.528
Base-Backbone interact. energy: -0.003
local terms energy: -57.054569
where:
bonds (distance) C4'-P energy: -11.035
bonds (distance) P-C4' energy: -12.558
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -11.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -102.388936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.388936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.388936 (E_RNA)
where:
Base-Base interactions energy: -47.776
where: short stacking energy: -31.955
Base-Backbone interact. energy: -0.055
local terms energy: -54.557699
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -8.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -91.209469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.209469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.209469 (E_RNA)
where:
Base-Base interactions energy: -40.042
where: short stacking energy: -40.642
Base-Backbone interact. energy: -0.083
local terms energy: -51.084587
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: -5.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -93.403680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.403680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.403680 (E_RNA)
where:
Base-Base interactions energy: -34.989
where: short stacking energy: -33.606
Base-Backbone interact. energy: -0.033
local terms energy: -58.381565
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -8.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -87.088132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.088132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.088132 (E_RNA)
where:
Base-Base interactions energy: -34.257
where: short stacking energy: -34.257
Base-Backbone interact. energy: -0.084
local terms energy: -52.747449
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -3.496
tors. eta vs tors. theta energy: -4.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -225.802541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.802541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.802541 (E_RNA)
where:
Base-Base interactions energy: -147.048
where: short stacking energy: -70.455
Base-Backbone interact. energy: -0.653
local terms energy: -78.101244
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -19.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -217.724848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.724848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.724848 (E_RNA)
where:
Base-Base interactions energy: -142.510
where: short stacking energy: -69.129
Base-Backbone interact. energy: -0.000
local terms energy: -75.214286
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -12.916
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -11.549
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: 449
Temperature: 1.000000
Total energy: -217.528972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.528972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.528972 (E_RNA)
where:
Base-Base interactions energy: -143.024
where: short stacking energy: -68.919
Base-Backbone interact. energy: -0.046
local terms energy: -74.458804
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -10.967
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -23.307
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: 4, replica: 7
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -174.653768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.653768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.653768 (E_RNA)
where:
Base-Base interactions energy: -105.428
where: short stacking energy: -53.580
Base-Backbone interact. energy: -0.161
local terms energy: -69.064066
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -8.872
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: 5, replica: 8
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -203.863373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.863373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.863373 (E_RNA)
where:
Base-Base interactions energy: -134.499
where: short stacking energy: -50.761
Base-Backbone interact. energy: -0.734
local terms energy: -68.630925
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -14.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -92.417482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.417482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.417482 (E_RNA)
where:
Base-Base interactions energy: -35.033
where: short stacking energy: -35.033
Base-Backbone interact. energy: -0.062
local terms energy: -57.322236
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -7.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -89.019387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.019387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.019387 (E_RNA)
where:
Base-Base interactions energy: -38.790
where: short stacking energy: -29.744
Base-Backbone interact. energy: 0.364
local terms energy: -50.593304
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -8.906
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -4.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -93.863618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.863618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.863618 (E_RNA)
where:
Base-Base interactions energy: -43.164
where: short stacking energy: -24.770
Base-Backbone interact. energy: -1.023
local terms energy: -49.677230
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -5.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -80.656115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.656115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.656115 (E_RNA)
where:
Base-Base interactions energy: -33.283
where: short stacking energy: -29.588
Base-Backbone interact. energy: -0.593
local terms energy: -46.779699
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -5.325
tors. eta vs tors. theta energy: -4.276
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: 4
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -87.241130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.241130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.241130 (E_RNA)
where:
Base-Base interactions energy: -32.516
where: short stacking energy: -32.516
Base-Backbone interact. energy: -0.017
local terms energy: -54.708184
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -9.848
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -3.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -225.545062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.545062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.545062 (E_RNA)
where:
Base-Base interactions energy: -147.946
where: short stacking energy: -63.946
Base-Backbone interact. energy: -2.033
local terms energy: -75.566544
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -12.071
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -12.888
tors. eta vs tors. theta energy: -19.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -222.066000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.066000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.066000 (E_RNA)
where:
Base-Base interactions energy: -143.851
where: short stacking energy: -68.792
Base-Backbone interact. energy: -0.005
local terms energy: -78.209977
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -12.563
tors. eta vs tors. theta energy: -20.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -215.061453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.061453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.061453 (E_RNA)
where:
Base-Base interactions energy: -150.192
where: short stacking energy: -59.298
Base-Backbone interact. energy: -0.848
local terms energy: -64.021715
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -11.070
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -16.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -175.949651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.949651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.949651 (E_RNA)
where:
Base-Base interactions energy: -112.278
where: short stacking energy: -57.055
Base-Backbone interact. energy: -0.179
local terms energy: -63.493480
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -7.129
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: 5, replica: 8
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -189.745433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.745433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.745433 (E_RNA)
where:
Base-Base interactions energy: -125.444
where: short stacking energy: -50.278
Base-Backbone interact. energy: -0.311
local terms energy: -63.990902
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -13.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -101.760430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.760430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.760430 (E_RNA)
where:
Base-Base interactions energy: -41.754
where: short stacking energy: -41.754
Base-Backbone interact. energy: -0.320
local terms energy: -59.685915
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -11.370
flat angles P-C4'-P energy: -10.119
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: 7, replica: 10
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -96.554248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.554248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.554248 (E_RNA)
where:
Base-Base interactions energy: -42.832
where: short stacking energy: -42.832
Base-Backbone interact. energy: -0.109
local terms energy: -53.612747
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -0.405
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: 8, replica: 3
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -94.144607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.144607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.144607 (E_RNA)
where:
Base-Base interactions energy: -38.076
where: short stacking energy: -36.234
Base-Backbone interact. energy: -1.001
local terms energy: -55.067338
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -4.036
tors. eta vs tors. theta energy: -7.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -82.408534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.408534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.408534 (E_RNA)
where:
Base-Base interactions energy: -31.239
where: short stacking energy: -26.982
Base-Backbone interact. energy: -0.279
local terms energy: -50.890560
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -11.552
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -0.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -71.847585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.847585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.847585 (E_RNA)
where:
Base-Base interactions energy: -23.956
where: short stacking energy: -22.428
Base-Backbone interact. energy: -0.314
local terms energy: -47.577334
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -10.371
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -3.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -221.982751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.982751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.982751 (E_RNA)
where:
Base-Base interactions energy: -145.016
where: short stacking energy: -59.993
Base-Backbone interact. energy: -0.244
local terms energy: -76.722780
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -18.219
flat angles P-C4'-P energy: -10.224
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: 2, replica: 9
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -214.575403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.575403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.575403 (E_RNA)
where:
Base-Base interactions energy: -138.247
where: short stacking energy: -62.876
Base-Backbone interact. energy: -0.067
local terms energy: -76.261614
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -20.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -219.130345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.130345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.130345 (E_RNA)
where:
Base-Base interactions energy: -142.536
where: short stacking energy: -64.778
Base-Backbone interact. energy: -0.002
local terms energy: -76.591936
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -18.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -205.245569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.245569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.245569 (E_RNA)
where:
Base-Base interactions energy: -131.319
where: short stacking energy: -55.939
Base-Backbone interact. energy: -0.070
local terms energy: -73.856059
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: -19.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -166.950614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.950614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.950614 (E_RNA)
where:
Base-Base interactions energy: -106.975
where: short stacking energy: -47.652
Base-Backbone interact. energy: -0.090
local terms energy: -59.884988
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -9.468
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -10.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -112.066268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.066268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.066268 (E_RNA)
where:
Base-Base interactions energy: -49.459
where: short stacking energy: -49.257
Base-Backbone interact. energy: -0.011
local terms energy: -62.596019
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: -9.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -95.395073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.395073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.395073 (E_RNA)
where:
Base-Base interactions energy: -40.272
where: short stacking energy: -39.046
Base-Backbone interact. energy: -0.116
local terms energy: -55.007690
where:
bonds (distance) C4'-P energy: -9.216
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -7.727
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: 8, replica: 3
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -113.713371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.713371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.713371 (E_RNA)
where:
Base-Base interactions energy: -54.350
where: short stacking energy: -42.248
Base-Backbone interact. energy: -0.023
local terms energy: -59.340160
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -5.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -91.549524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.549524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.549524 (E_RNA)
where:
Base-Base interactions energy: -45.398
where: short stacking energy: -33.090
Base-Backbone interact. energy: -0.276
local terms energy: -45.875255
where:
bonds (distance) C4'-P energy: -12.669
bonds (distance) P-C4' energy: -9.383
flat angles C4'-P-C4' energy: -10.953
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -5.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -75.760482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.760482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.760482 (E_RNA)
where:
Base-Base interactions energy: -32.774
where: short stacking energy: -29.286
Base-Backbone interact. energy: -0.070
local terms energy: -42.916615
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -8.453
flat angles C4'-P-C4' energy: -11.111
flat angles P-C4'-P energy: -5.488
tors. eta vs tors. theta energy: -1.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -225.494710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.494710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.494710 (E_RNA)
where:
Base-Base interactions energy: -144.908
where: short stacking energy: -73.807
Base-Backbone interact. energy: -0.035
local terms energy: -80.551938
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -21.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -222.614197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.614197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.614197 (E_RNA)
where:
Base-Base interactions energy: -145.965
where: short stacking energy: -62.724
Base-Backbone interact. energy: -1.713
local terms energy: -74.935648
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -13.616
tors. eta vs tors. theta energy: -21.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -223.148864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.148864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.148864 (E_RNA)
where:
Base-Base interactions energy: -144.951
where: short stacking energy: -72.823
Base-Backbone interact. energy: 0.345
local terms energy: -78.542559
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -11.583
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -14.408
tors. eta vs tors. theta energy: -21.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -208.380219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.380219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.380219 (E_RNA)
where:
Base-Base interactions energy: -138.901
where: short stacking energy: -72.173
Base-Backbone interact. energy: -0.014
local terms energy: -69.465139
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -18.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -168.286201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.286201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.286201 (E_RNA)
where:
Base-Base interactions energy: -107.662
where: short stacking energy: -47.024
Base-Backbone interact. energy: -0.605
local terms energy: -60.019835
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -10.959
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -11.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -101.302878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.302878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.302878 (E_RNA)
where:
Base-Base interactions energy: -40.169
where: short stacking energy: -36.468
Base-Backbone interact. energy: -0.240
local terms energy: -60.893713
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -3.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -101.538635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.538635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.538635 (E_RNA)
where:
Base-Base interactions energy: -37.805
where: short stacking energy: -37.727
Base-Backbone interact. energy: -0.126
local terms energy: -63.606883
where:
bonds (distance) C4'-P energy: -17.047
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -7.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -110.090772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.090772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.090772 (E_RNA)
where:
Base-Base interactions energy: -46.489
where: short stacking energy: -43.402
Base-Backbone interact. energy: -0.153
local terms energy: -63.449390
where:
bonds (distance) C4'-P energy: -10.513
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -11.559
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: 9, replica: 1
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -94.489864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.489864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.489864 (E_RNA)
where:
Base-Base interactions energy: -43.767
where: short stacking energy: -24.898
Base-Backbone interact. energy: -0.393
local terms energy: -50.330404
where:
bonds (distance) C4'-P energy: -7.573
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -2.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -74.712460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.712460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.712460 (E_RNA)
where:
Base-Base interactions energy: -28.304
where: short stacking energy: -21.332
Base-Backbone interact. energy: -0.103
local terms energy: -46.304790
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -8.470
flat angles P-C4'-P energy: -5.589
tors. eta vs tors. theta energy: -6.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -234.808910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.808910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.808910 (E_RNA)
where:
Base-Base interactions energy: -155.401
where: short stacking energy: -70.361
Base-Backbone interact. energy: -0.886
local terms energy: -78.521848
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -14.376
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -22.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -220.947306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.947306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.947306 (E_RNA)
where:
Base-Base interactions energy: -148.630
where: short stacking energy: -50.716
Base-Backbone interact. energy: -0.196
local terms energy: -72.120904
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -10.831
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: 6
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -216.880439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.880439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.880439 (E_RNA)
where:
Base-Base interactions energy: -140.562
where: short stacking energy: -67.189
Base-Backbone interact. energy: 0.091
local terms energy: -76.409162
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -17.415
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -20.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -212.646793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.646793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.646793 (E_RNA)
where:
Base-Base interactions energy: -138.835
where: short stacking energy: -63.600
Base-Backbone interact. energy: -0.005
local terms energy: -73.806660
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -12.220
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -19.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -180.309143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.309143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.309143 (E_RNA)
where:
Base-Base interactions energy: -112.639
where: short stacking energy: -65.935
Base-Backbone interact. energy: -0.001
local terms energy: -67.669441
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -10.201
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -19.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -105.743517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.743517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.743517 (E_RNA)
where:
Base-Base interactions energy: -46.863
where: short stacking energy: -46.357
Base-Backbone interact. energy: -0.108
local terms energy: -58.772526
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -6.475
tors. eta vs tors. theta energy: -9.405
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: 7, replica: 3
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -101.856523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.856523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.856523 (E_RNA)
where:
Base-Base interactions energy: -43.896
where: short stacking energy: -43.896
Base-Backbone interact. energy: -0.068
local terms energy: -57.892458
where:
bonds (distance) C4'-P energy: -9.184
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -8.910
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: 8, replica: 1
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -103.427808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.427808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.427808 (E_RNA)
where:
Base-Base interactions energy: -47.837
where: short stacking energy: -37.905
Base-Backbone interact. energy: -0.309
local terms energy: -55.281475
where:
bonds (distance) C4'-P energy: -10.307
bonds (distance) P-C4' energy: -10.482
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -7.571
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: 10
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -77.399269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.399269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.399269 (E_RNA)
where:
Base-Base interactions energy: -20.239
where: short stacking energy: -19.786
Base-Backbone interact. energy: -0.073
local terms energy: -57.088093
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -12.605
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -4.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -96.150576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.150576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.150576 (E_RNA)
where:
Base-Base interactions energy: -38.834
where: short stacking energy: -31.736
Base-Backbone interact. energy: -0.083
local terms energy: -57.233550
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -8.975
flat angles P-C4'-P energy: -7.258
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: 1, replica: 9
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -218.389669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.389669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.389669 (E_RNA)
where:
Base-Base interactions energy: -147.941
where: short stacking energy: -70.938
Base-Backbone interact. energy: -0.005
local terms energy: -70.443659
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -10.468
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -19.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -208.940855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.940855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.940855 (E_RNA)
where:
Base-Base interactions energy: -138.987
where: short stacking energy: -52.113
Base-Backbone interact. energy: -0.075
local terms energy: -69.879579
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -18.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -213.004709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.004709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.004709 (E_RNA)
where:
Base-Base interactions energy: -138.737
where: short stacking energy: -64.642
Base-Backbone interact. energy: -0.103
local terms energy: -74.164948
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -17.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -217.536248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.536248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.536248 (E_RNA)
where:
Base-Base interactions energy: -138.181
where: short stacking energy: -56.304
Base-Backbone interact. energy: -0.001
local terms energy: -79.354106
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -18.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -161.930113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.930113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.930113 (E_RNA)
where:
Base-Base interactions energy: -103.123
where: short stacking energy: -57.447
Base-Backbone interact. energy: -0.504
local terms energy: -58.303219
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -13.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -118.269490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.269490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.269490 (E_RNA)
where:
Base-Base interactions energy: -62.021
where: short stacking energy: -44.725
Base-Backbone interact. energy: -0.161
local terms energy: -56.087651
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -10.969
flat angles P-C4'-P energy: -7.294
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: 7, replica: 1
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -85.930644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.930644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.930644 (E_RNA)
where:
Base-Base interactions energy: -39.004
where: short stacking energy: -22.764
Base-Backbone interact. energy: -0.485
local terms energy: -46.441148
where:
bonds (distance) C4'-P energy: -8.169
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -3.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -89.023743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.023743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.023743 (E_RNA)
where:
Base-Base interactions energy: -36.515
where: short stacking energy: -36.515
Base-Backbone interact. energy: -0.213
local terms energy: -52.296304
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: 0.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -90.572940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.572940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.572940 (E_RNA)
where:
Base-Base interactions energy: -42.093
where: short stacking energy: -26.490
Base-Backbone interact. energy: -0.110
local terms energy: -48.369340
where:
bonds (distance) C4'-P energy: -9.246
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -0.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -71.203097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.203097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.203097 (E_RNA)
where:
Base-Base interactions energy: -26.115
where: short stacking energy: -26.115
Base-Backbone interact. energy: -0.508
local terms energy: -44.580087
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -5.906
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: 0.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -221.214936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.214936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.214936 (E_RNA)
where:
Base-Base interactions energy: -150.018
where: short stacking energy: -59.556
Base-Backbone interact. energy: -0.351
local terms energy: -70.845692
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -17.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -224.959437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.959437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.959437 (E_RNA)
where:
Base-Base interactions energy: -147.479
where: short stacking energy: -69.259
Base-Backbone interact. energy: -0.005
local terms energy: -77.475552
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -21.481
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: 2
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -209.035244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.035244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.035244 (E_RNA)
where:
Base-Base interactions energy: -139.359
where: short stacking energy: -65.190
Base-Backbone interact. energy: -0.098
local terms energy: -69.578573
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -10.482
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: 4, replica: 6
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -213.335496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.335496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.335496 (E_RNA)
where:
Base-Base interactions energy: -147.503
where: short stacking energy: -54.592
Base-Backbone interact. energy: -0.237
local terms energy: -65.595779
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -9.856
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -13.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -172.814942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.814942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.814942 (E_RNA)
where:
Base-Base interactions energy: -103.489
where: short stacking energy: -60.238
Base-Backbone interact. energy: 2.339
local terms energy: -71.665032
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -15.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -127.418250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.418250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.418250 (E_RNA)
where:
Base-Base interactions energy: -71.345
where: short stacking energy: -33.610
Base-Backbone interact. energy: -0.135
local terms energy: -55.938159
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -3.427
tors. eta vs tors. theta energy: -2.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -85.165422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.165422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.165422 (E_RNA)
where:
Base-Base interactions energy: -32.779
where: short stacking energy: -32.779
Base-Backbone interact. energy: -0.093
local terms energy: -52.293654
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -13.826
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: -5.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -92.186946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.186946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.186946 (E_RNA)
where:
Base-Base interactions energy: -31.798
where: short stacking energy: -31.798
Base-Backbone interact. energy: -0.043
local terms energy: -60.345688
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -12.554
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: 9, replica: 3
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -76.967987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.967987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.967987 (E_RNA)
where:
Base-Base interactions energy: -29.200
where: short stacking energy: -24.503
Base-Backbone interact. energy: -0.267
local terms energy: -47.500741
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -15.996
flat angles C4'-P-C4' energy: -8.398
flat angles P-C4'-P energy: -6.345
tors. eta vs tors. theta energy: -1.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -84.243335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.243335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.243335 (E_RNA)
where:
Base-Base interactions energy: -37.813
where: short stacking energy: -30.546
Base-Backbone interact. energy: 0.963
local terms energy: -47.392699
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -5.933
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -8.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -228.928689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.928689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.928689 (E_RNA)
where:
Base-Base interactions energy: -142.016
where: short stacking energy: -72.082
Base-Backbone interact. energy: -0.072
local terms energy: -86.841020
where:
bonds (distance) C4'-P energy: -18.114
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -13.200
tors. eta vs tors. theta energy: -23.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -219.051444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.051444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.051444 (E_RNA)
where:
Base-Base interactions energy: -148.784
where: short stacking energy: -59.831
Base-Backbone interact. energy: -1.620
local terms energy: -68.647057
where:
bonds (distance) C4'-P energy: -9.930
bonds (distance) P-C4' energy: -12.058
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -11.502
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: 6
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -220.481248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.481248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.481248 (E_RNA)
where:
Base-Base interactions energy: -147.706
where: short stacking energy: -61.453
Base-Backbone interact. energy: -0.096
local terms energy: -72.679676
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -13.189
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: 4, replica: 2
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -207.456093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.456093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.456093 (E_RNA)
where:
Base-Base interactions energy: -147.462
where: short stacking energy: -61.680
Base-Backbone interact. energy: -0.439
local terms energy: -59.554868
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -12.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -165.526688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.526688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.526688 (E_RNA)
where:
Base-Base interactions energy: -107.979
where: short stacking energy: -58.027
Base-Backbone interact. energy: -0.008
local terms energy: -57.539727
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -10.476
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -12.057
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: 1
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -91.308907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.308907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.308907 (E_RNA)
where:
Base-Base interactions energy: -34.519
where: short stacking energy: -20.673
Base-Backbone interact. energy: -0.168
local terms energy: -56.621463
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -9.097
flat angles P-C4'-P energy: -13.104
tors. eta vs tors. theta energy: -2.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -94.599743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.599743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.599743 (E_RNA)
where:
Base-Base interactions energy: -42.022
where: short stacking energy: -29.044
Base-Backbone interact. energy: -0.274
local terms energy: -52.304255
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -6.085
tors. eta vs tors. theta energy: -3.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -80.470524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.470524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.470524 (E_RNA)
where:
Base-Base interactions energy: -19.697
where: short stacking energy: -19.697
Base-Backbone interact. energy: 0.607
local terms energy: -61.379981
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -11.165
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -5.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -87.773895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.773895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.773895 (E_RNA)
where:
Base-Base interactions energy: -30.130
where: short stacking energy: -30.130
Base-Backbone interact. energy: -0.189
local terms energy: -57.454719
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -1.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -93.165026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.165026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.165026 (E_RNA)
where:
Base-Base interactions energy: -38.286
where: short stacking energy: -38.084
Base-Backbone interact. energy: 0.757
local terms energy: -55.635589
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -10.767
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -7.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -222.671534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.671534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.671534 (E_RNA)
where:
Base-Base interactions energy: -143.484
where: short stacking energy: -71.533
Base-Backbone interact. energy: -0.008
local terms energy: -79.179187
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -22.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -214.768394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.768394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.768394 (E_RNA)
where:
Base-Base interactions energy: -147.749
where: short stacking energy: -54.605
Base-Backbone interact. energy: -0.177
local terms energy: -66.842314
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -11.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -212.784832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.784832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.784832 (E_RNA)
where:
Base-Base interactions energy: -146.664
where: short stacking energy: -60.971
Base-Backbone interact. energy: -0.860
local terms energy: -65.260847
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -19.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -194.640312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.640312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.640312 (E_RNA)
where:
Base-Base interactions energy: -135.211
where: short stacking energy: -59.503
Base-Backbone interact. energy: -0.010
local terms energy: -59.419004
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -5.285
flat angles P-C4'-P energy: -6.524
tors. eta vs tors. theta energy: -17.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -156.152379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.152379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.152379 (E_RNA)
where:
Base-Base interactions energy: -98.050
where: short stacking energy: -45.897
Base-Backbone interact. energy: -0.175
local terms energy: -57.927666
where:
bonds (distance) C4'-P energy: -7.532
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -18.137
flat angles P-C4'-P energy: -6.536
tors. eta vs tors. theta energy: -10.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -92.175415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.175415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.175415 (E_RNA)
where:
Base-Base interactions energy: -33.030
where: short stacking energy: -33.030
Base-Backbone interact. energy: 0.732
local terms energy: -59.878081
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: -5.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -95.271531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.271531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.271531 (E_RNA)
where:
Base-Base interactions energy: -39.507
where: short stacking energy: -31.280
Base-Backbone interact. energy: -0.538
local terms energy: -55.226618
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -0.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -83.051534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.051534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.051534 (E_RNA)
where:
Base-Base interactions energy: -28.972
where: short stacking energy: -28.972
Base-Backbone interact. energy: -0.014
local terms energy: -54.066190
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -10.060
flat angles P-C4'-P energy: -8.734
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: 9, replica: 5
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -85.301100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.301100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.301100 (E_RNA)
where:
Base-Base interactions energy: -35.128
where: short stacking energy: -34.395
Base-Backbone interact. energy: -0.017
local terms energy: -50.155358
where:
bonds (distance) C4'-P energy: -6.041
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -9.471
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: 10, replica: 3
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -74.903767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.903767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.903767 (E_RNA)
where:
Base-Base interactions energy: -25.941
where: short stacking energy: -22.616
Base-Backbone interact. energy: -0.140
local terms energy: -48.822837
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -14.245
flat angles P-C4'-P energy: -6.350
tors. eta vs tors. theta energy: -3.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -227.279411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.279411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.279411 (E_RNA)
where:
Base-Base interactions energy: -146.012
where: short stacking energy: -74.401
Base-Backbone interact. energy: -0.079
local terms energy: -81.188621
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -20.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -214.194896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.194896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.194896 (E_RNA)
where:
Base-Base interactions energy: -146.521
where: short stacking energy: -49.513
Base-Backbone interact. energy: -0.301
local terms energy: -67.373338
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -11.689
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -14.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -215.201715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.201715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.201715 (E_RNA)
where:
Base-Base interactions energy: -152.220
where: short stacking energy: -59.343
Base-Backbone interact. energy: -0.403
local terms energy: -62.579187
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -3.137
tors. eta vs tors. theta energy: -13.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -199.563620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.563620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.563620 (E_RNA)
where:
Base-Base interactions energy: -132.882
where: short stacking energy: -56.146
Base-Backbone interact. energy: -0.039
local terms energy: -66.641956
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -10.216
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -11.663
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: 5, replica: 7
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -157.200601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.200601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.200601 (E_RNA)
where:
Base-Base interactions energy: -91.178
where: short stacking energy: -47.658
Base-Backbone interact. energy: -0.459
local terms energy: -65.563575
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -11.137
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: 6, replica: 4
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -95.872740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.872740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.872740 (E_RNA)
where:
Base-Base interactions energy: -35.553
where: short stacking energy: -34.960
Base-Backbone interact. energy: -0.489
local terms energy: -59.830063
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -8.995
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: 10
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -120.900391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.900391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.900391 (E_RNA)
where:
Base-Base interactions energy: -69.720
where: short stacking energy: -28.833
Base-Backbone interact. energy: 0.507
local terms energy: -51.687826
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -10.237
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -0.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -83.913821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.913821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.913821 (E_RNA)
where:
Base-Base interactions energy: -36.277
where: short stacking energy: -36.255
Base-Backbone interact. energy: -1.568
local terms energy: -46.068343
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -9.953
flat angles P-C4'-P energy: -0.262
tors. eta vs tors. theta energy: -6.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -81.737892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.737892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.737892 (E_RNA)
where:
Base-Base interactions energy: -34.133
where: short stacking energy: -23.449
Base-Backbone interact. energy: -0.412
local terms energy: -47.193091
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -9.850
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -1.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -82.764311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.764311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.764311 (E_RNA)
where:
Base-Base interactions energy: -36.048
where: short stacking energy: -23.137
Base-Backbone interact. energy: -0.940
local terms energy: -45.775915
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -7.680
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -1.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -227.651317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.651317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.651317 (E_RNA)
where:
Base-Base interactions energy: -155.800
where: short stacking energy: -75.418
Base-Backbone interact. energy: -0.053
local terms energy: -71.798467
where:
bonds (distance) C4'-P energy: -8.877
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -21.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -220.184724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.184724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.184724 (E_RNA)
where:
Base-Base interactions energy: -139.068
where: short stacking energy: -61.011
Base-Backbone interact. energy: -0.004
local terms energy: -81.113119
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -19.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -211.248579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.248579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.248579 (E_RNA)
where:
Base-Base interactions energy: -142.302
where: short stacking energy: -54.876
Base-Backbone interact. energy: -0.240
local terms energy: -68.706237
where:
bonds (distance) C4'-P energy: -11.489
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -18.335
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -13.308
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: 4, replica: 2
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -206.274612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.274612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.274612 (E_RNA)
where:
Base-Base interactions energy: -129.933
where: short stacking energy: -66.262
Base-Backbone interact. energy: -0.171
local terms energy: -76.169779
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -19.313
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: 5, replica: 7
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -152.408547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.408547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.408547 (E_RNA)
where:
Base-Base interactions energy: -96.986
where: short stacking energy: -37.159
Base-Backbone interact. energy: 0.931
local terms energy: -56.353908
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -4.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -141.121798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.121798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.121798 (E_RNA)
where:
Base-Base interactions energy: -91.316
where: short stacking energy: -46.842
Base-Backbone interact. energy: -0.264
local terms energy: -49.541102
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -4.422
tors. eta vs tors. theta energy: -5.348
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: 4
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -91.986885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.986885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.986885 (E_RNA)
where:
Base-Base interactions energy: -34.959
where: short stacking energy: -30.666
Base-Backbone interact. energy: -0.118
local terms energy: -56.909675
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -10.604
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -7.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -85.785755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.785755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.785755 (E_RNA)
where:
Base-Base interactions energy: -37.529
where: short stacking energy: -33.917
Base-Backbone interact. energy: -0.354
local terms energy: -47.903091
where:
bonds (distance) C4'-P energy: -9.197
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -2.186
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: 5
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -92.204482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.204482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.204482 (E_RNA)
where:
Base-Base interactions energy: -43.955
where: short stacking energy: -33.902
Base-Backbone interact. energy: -0.174
local terms energy: -48.075774
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -4.854
tors. eta vs tors. theta energy: -2.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -78.344107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.344107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.344107 (E_RNA)
where:
Base-Base interactions energy: -29.250
where: short stacking energy: -23.863
Base-Backbone interact. energy: -1.010
local terms energy: -48.084798
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -9.158
flat angles P-C4'-P energy: -3.206
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: 1, replica: 9
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -225.542118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.542118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.542118 (E_RNA)
where:
Base-Base interactions energy: -144.499
where: short stacking energy: -69.503
Base-Backbone interact. energy: -1.760
local terms energy: -79.283189
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -14.178
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -21.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -224.336688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.336688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.336688 (E_RNA)
where:
Base-Base interactions energy: -144.903
where: short stacking energy: -76.412
Base-Backbone interact. energy: -0.627
local terms energy: -78.806094
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -11.687
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: 3, replica: 2
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -215.152255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.152255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.152255 (E_RNA)
where:
Base-Base interactions energy: -144.557
where: short stacking energy: -75.152
Base-Backbone interact. energy: -0.162
local terms energy: -70.433361
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -8.142
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: 4, replica: 6
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -213.288006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.288006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.288006 (E_RNA)
where:
Base-Base interactions energy: -146.330
where: short stacking energy: -53.727
Base-Backbone interact. energy: -0.999
local terms energy: -65.958908
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -9.201
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: 5, replica: 10
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -148.010230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.010230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.010230 (E_RNA)
where:
Base-Base interactions energy: -87.876
where: short stacking energy: -42.350
Base-Backbone interact. energy: -0.591
local terms energy: -59.543303
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -9.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -151.058236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.058236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.058236 (E_RNA)
where:
Base-Base interactions energy: -92.292
where: short stacking energy: -48.191
Base-Backbone interact. energy: 0.663
local terms energy: -59.429432
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -16.087
flat angles C4'-P-C4' energy: -9.387
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -13.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -100.059219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.059219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.059219 (E_RNA)
where:
Base-Base interactions energy: -47.080
where: short stacking energy: -32.171
Base-Backbone interact. energy: -0.117
local terms energy: -52.862988
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -5.061
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -9.800
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: 4
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -92.188246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.188246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.188246 (E_RNA)
where:
Base-Base interactions energy: -32.746
where: short stacking energy: -32.746
Base-Backbone interact. energy: -0.126
local terms energy: -59.316890
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -6.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -92.340337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.340337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.340337 (E_RNA)
where:
Base-Base interactions energy: -45.546
where: short stacking energy: -9.770
Base-Backbone interact. energy: -1.297
local terms energy: -45.497322
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -12.471
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: 1.281
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: 460
Temperature: 1.350000
Total energy: -84.957761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.957761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.957761 (E_RNA)
where:
Base-Base interactions energy: -40.376
where: short stacking energy: -26.294
Base-Backbone interact. energy: -0.134
local terms energy: -44.447692
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -9.695
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -229.390241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.390241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.390241 (E_RNA)
where:
Base-Base interactions energy: -154.225
where: short stacking energy: -67.303
Base-Backbone interact. energy: -0.581
local terms energy: -74.584190
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -21.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -224.831628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.831628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.831628 (E_RNA)
where:
Base-Base interactions energy: -154.210
where: short stacking energy: -60.687
Base-Backbone interact. energy: -0.814
local terms energy: -69.807645
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -17.924
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: 8
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -215.301937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.301937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.301937 (E_RNA)
where:
Base-Base interactions energy: -136.430
where: short stacking energy: -62.022
Base-Backbone interact. energy: -0.063
local terms energy: -78.809127
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -21.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -140.929677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.929677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.929677 (E_RNA)
where:
Base-Base interactions energy: -82.389
where: short stacking energy: -39.611
Base-Backbone interact. energy: -0.866
local terms energy: -57.674642
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: -6.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -212.361931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.361931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.361931 (E_RNA)
where:
Base-Base interactions energy: -140.586
where: short stacking energy: -54.130
Base-Backbone interact. energy: -0.188
local terms energy: -71.588154
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -12.987
tors. eta vs tors. theta energy: -16.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -171.003478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.003478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.003478 (E_RNA)
where:
Base-Base interactions energy: -106.145
where: short stacking energy: -50.577
Base-Backbone interact. energy: -0.077
local terms energy: -64.781427
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -12.092
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: 7, replica: 1
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -122.223714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.223714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.223714 (E_RNA)
where:
Base-Base interactions energy: -66.078
where: short stacking energy: -33.625
Base-Backbone interact. energy: -1.895
local terms energy: -54.250780
where:
bonds (distance) C4'-P energy: -7.487
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -6.278
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: 8, replica: 4
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -80.365338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.365338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.365338 (E_RNA)
where:
Base-Base interactions energy: -30.211
where: short stacking energy: -30.211
Base-Backbone interact. energy: 0.139
local terms energy: -50.293543
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -2.657
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: 3
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -114.684921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.684921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.684921 (E_RNA)
where:
Base-Base interactions energy: -73.868
where: short stacking energy: -46.270
Base-Backbone interact. energy: 8.498
local terms energy: -49.314316
where:
bonds (distance) C4'-P energy: -9.470
bonds (distance) P-C4' energy: -10.995
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -3.631
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: 5
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -86.234621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.234621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.234621 (E_RNA)
where:
Base-Base interactions energy: -36.641
where: short stacking energy: -30.169
Base-Backbone interact. energy: -0.068
local terms energy: -49.525464
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -10.931
flat angles C4'-P-C4' energy: -10.966
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -6.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -225.559893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.559893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.559893 (E_RNA)
where:
Base-Base interactions energy: -146.660
where: short stacking energy: -69.436
Base-Backbone interact. energy: -0.077
local terms energy: -78.823104
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -19.146
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: 9
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -222.653063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.653063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.653063 (E_RNA)
where:
Base-Base interactions energy: -141.915
where: short stacking energy: -66.980
Base-Backbone interact. energy: -0.056
local terms energy: -80.682185
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -20.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -211.728359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.728359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.728359 (E_RNA)
where:
Base-Base interactions energy: -146.232
where: short stacking energy: -56.987
Base-Backbone interact. energy: -0.517
local terms energy: -64.978936
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -16.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -125.411350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.411350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.411350 (E_RNA)
where:
Base-Base interactions energy: -67.264
where: short stacking energy: -41.169
Base-Backbone interact. energy: -0.973
local terms energy: -57.174140
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -6.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -214.781494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.781494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.781494 (E_RNA)
where:
Base-Base interactions energy: -139.794
where: short stacking energy: -53.827
Base-Backbone interact. energy: -1.897
local terms energy: -73.090255
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -14.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -164.312673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.312673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.312673 (E_RNA)
where:
Base-Base interactions energy: -95.609
where: short stacking energy: -61.498
Base-Backbone interact. energy: -0.026
local terms energy: -68.677958
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -11.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -112.586654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.586654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.586654 (E_RNA)
where:
Base-Base interactions energy: -63.104
where: short stacking energy: -39.076
Base-Backbone interact. energy: -0.330
local terms energy: -49.152614
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -15.443
flat angles C4'-P-C4' energy: -7.695
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: -5.299
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: 4
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -88.413198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.413198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.413198 (E_RNA)
where:
Base-Base interactions energy: -37.158
where: short stacking energy: -37.158
Base-Backbone interact. energy: -0.145
local terms energy: -51.109956
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -10.799
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -4.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -87.232404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.232404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.232404 (E_RNA)
where:
Base-Base interactions energy: -41.041
where: short stacking energy: -33.933
Base-Backbone interact. energy: -0.223
local terms energy: -45.968188
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -2.524
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: 10, replica: 3
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -94.525618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.525618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.525618 (E_RNA)
where:
Base-Base interactions energy: -45.351
where: short stacking energy: -30.471
Base-Backbone interact. energy: -0.059
local terms energy: -49.115361
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -5.414
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -8.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -227.288602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.288602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.288602 (E_RNA)
where:
Base-Base interactions energy: -148.441
where: short stacking energy: -63.855
Base-Backbone interact. energy: -0.582
local terms energy: -78.266037
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -17.402
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -18.759
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: 463
Temperature: 0.950000
Total energy: -218.863443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.863443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.863443 (E_RNA)
where:
Base-Base interactions energy: -140.441
where: short stacking energy: -74.738
Base-Backbone interact. energy: -0.022
local terms energy: -78.400175
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -18.141
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -21.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -221.026943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.026943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.026943 (E_RNA)
where:
Base-Base interactions energy: -139.802
where: short stacking energy: -69.734
Base-Backbone interact. energy: -1.098
local terms energy: -80.126509
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -12.868
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: -22.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -208.861016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.861016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.861016 (E_RNA)
where:
Base-Base interactions energy: -133.945
where: short stacking energy: -64.780
Base-Backbone interact. energy: -0.187
local terms energy: -74.728564
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -16.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -121.341659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.341659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.341659 (E_RNA)
where:
Base-Base interactions energy: -65.588
where: short stacking energy: -39.645
Base-Backbone interact. energy: -0.069
local terms energy: -55.684490
where:
bonds (distance) C4'-P energy: -18.288
bonds (distance) P-C4' energy: -11.275
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -1.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -160.492430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.492430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.492430 (E_RNA)
where:
Base-Base interactions energy: -96.591
where: short stacking energy: -58.960
Base-Backbone interact. energy: -0.699
local terms energy: -63.201576
where:
bonds (distance) C4'-P energy: -8.200
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -6.309
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: 7, replica: 1
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -91.088463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.088463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.088463 (E_RNA)
where:
Base-Base interactions energy: -32.416
where: short stacking energy: -32.416
Base-Backbone interact. energy: -0.089
local terms energy: -58.583565
where:
bonds (distance) C4'-P energy: -10.688
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -4.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -111.023770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.023770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.023770 (E_RNA)
where:
Base-Base interactions energy: -60.725
where: short stacking energy: -45.470
Base-Backbone interact. energy: -0.532
local terms energy: -49.767477
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -8.629
flat angles P-C4'-P energy: -5.698
tors. eta vs tors. theta energy: -8.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -92.575376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.575376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.575376 (E_RNA)
where:
Base-Base interactions energy: -35.326
where: short stacking energy: -31.304
Base-Backbone interact. energy: -0.998
local terms energy: -56.250918
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -10.693
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -8.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -75.990470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.990470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.990470 (E_RNA)
where:
Base-Base interactions energy: -25.180
where: short stacking energy: -19.789
Base-Backbone interact. energy: -0.060
local terms energy: -50.751160
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -5.471
tors. eta vs tors. theta energy: -1.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -231.646937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.646937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.646937 (E_RNA)
where:
Base-Base interactions energy: -153.530
where: short stacking energy: -76.270
Base-Backbone interact. energy: 1.209
local terms energy: -79.326212
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -15.320
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -22.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -224.196554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.196554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.196554 (E_RNA)
where:
Base-Base interactions energy: -147.147
where: short stacking energy: -56.104
Base-Backbone interact. energy: -2.275
local terms energy: -74.774652
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -18.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -225.361805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.361805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.361805 (E_RNA)
where:
Base-Base interactions energy: -142.625
where: short stacking energy: -65.354
Base-Backbone interact. energy: -0.029
local terms energy: -82.707791
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -21.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -208.409314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.409314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.409314 (E_RNA)
where:
Base-Base interactions energy: -136.828
where: short stacking energy: -54.524
Base-Backbone interact. energy: -0.646
local terms energy: -70.935530
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -14.977
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: 5, replica: 7
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -137.488899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.488899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.488899 (E_RNA)
where:
Base-Base interactions energy: -76.563
where: short stacking energy: -40.837
Base-Backbone interact. energy: -2.114
local terms energy: -58.812093
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -6.491
tors. eta vs tors. theta energy: -11.580
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: 10
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -111.928544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.928544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.928544 (E_RNA)
where:
Base-Base interactions energy: -54.413
where: short stacking energy: -42.881
Base-Backbone interact. energy: -0.212
local terms energy: -57.303083
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -9.865
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -6.846
tors. eta vs tors. theta energy: -10.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -89.242728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.242728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.242728 (E_RNA)
where:
Base-Base interactions energy: -38.149
where: short stacking energy: -34.620
Base-Backbone interact. energy: -0.121
local terms energy: -50.973044
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -4.454
tors. eta vs tors. theta energy: -3.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -91.313256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.313256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.313256 (E_RNA)
where:
Base-Base interactions energy: -33.172
where: short stacking energy: -33.172
Base-Backbone interact. energy: -0.033
local terms energy: -58.108003
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -7.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -80.329164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.329164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.329164 (E_RNA)
where:
Base-Base interactions energy: -29.442
where: short stacking energy: -24.933
Base-Backbone interact. energy: -0.275
local terms energy: -50.612778
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: 1.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -91.245312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.245312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.245312 (E_RNA)
where:
Base-Base interactions energy: -38.556
where: short stacking energy: -19.512
Base-Backbone interact. energy: -0.380
local terms energy: -52.309407
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -1.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -225.945178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.945178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.945178 (E_RNA)
where:
Base-Base interactions energy: -146.156
where: short stacking energy: -78.678
Base-Backbone interact. energy: -0.098
local terms energy: -79.690791
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -12.041
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -22.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -220.822795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.822795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.822795 (E_RNA)
where:
Base-Base interactions energy: -144.684
where: short stacking energy: -72.414
Base-Backbone interact. energy: -0.158
local terms energy: -75.981212
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -21.610
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: 9
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -216.567116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.567116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.567116 (E_RNA)
where:
Base-Base interactions energy: -149.079
where: short stacking energy: -51.789
Base-Backbone interact. energy: -0.072
local terms energy: -67.416113
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -9.118
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: 4, replica: 6
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -212.519127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.519127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.519127 (E_RNA)
where:
Base-Base interactions energy: -138.676
where: short stacking energy: -71.546
Base-Backbone interact. energy: -0.011
local terms energy: -73.832799
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -17.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -156.996095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.996095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.996095 (E_RNA)
where:
Base-Base interactions energy: -93.498
where: short stacking energy: -39.498
Base-Backbone interact. energy: 0.176
local terms energy: -63.674193
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -7.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -104.190698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.190698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.190698 (E_RNA)
where:
Base-Base interactions energy: -55.033
where: short stacking energy: -47.958
Base-Backbone interact. energy: 2.969
local terms energy: -52.127140
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -4.110
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: 7, replica: 10
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -107.751858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.751858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.751858 (E_RNA)
where:
Base-Base interactions energy: -47.977
where: short stacking energy: -37.266
Base-Backbone interact. energy: -0.201
local terms energy: -59.573177
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -11.007
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: 8, replica: 3
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -102.694237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.694237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.694237 (E_RNA)
where:
Base-Base interactions energy: -54.558
where: short stacking energy: -25.489
Base-Backbone interact. energy: -1.239
local terms energy: -46.897370
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -9.558
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -2.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -79.594534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.594534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.594534 (E_RNA)
where:
Base-Base interactions energy: -25.944
where: short stacking energy: -23.231
Base-Backbone interact. energy: -0.076
local terms energy: -53.574009
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -5.472
tors. eta vs tors. theta energy: -4.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -76.452801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.452801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.452801 (E_RNA)
where:
Base-Base interactions energy: -36.118
where: short stacking energy: -13.758
Base-Backbone interact. energy: -1.118
local terms energy: -39.217092
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -6.756
flat angles P-C4'-P energy: -4.292
tors. eta vs tors. theta energy: 0.859
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: 1, replica: 8
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -224.077690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.077690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.077690 (E_RNA)
where:
Base-Base interactions energy: -146.756
where: short stacking energy: -72.695
Base-Backbone interact. energy: -1.322
local terms energy: -75.999437
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -18.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -215.032571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.032571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.032571 (E_RNA)
where:
Base-Base interactions energy: -140.452
where: short stacking energy: -65.419
Base-Backbone interact. energy: -0.066
local terms energy: -74.514055
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -21.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -213.074305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.074305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.074305 (E_RNA)
where:
Base-Base interactions energy: -152.770
where: short stacking energy: -49.677
Base-Backbone interact. energy: -0.265
local terms energy: -60.039398
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -9.517
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -4.053
tors. eta vs tors. theta energy: -13.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -212.636366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.636366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.636366 (E_RNA)
where:
Base-Base interactions energy: -138.323
where: short stacking energy: -62.627
Base-Backbone interact. energy: -0.306
local terms energy: -74.007736
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -21.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -102.114249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.114249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.114249 (E_RNA)
where:
Base-Base interactions energy: -40.237
where: short stacking energy: -36.460
Base-Backbone interact. energy: -0.044
local terms energy: -61.833656
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -9.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -158.362048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.362048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.362048 (E_RNA)
where:
Base-Base interactions energy: -99.526
where: short stacking energy: -46.256
Base-Backbone interact. energy: 0.033
local terms energy: -58.869134
where:
bonds (distance) C4'-P energy: -9.641
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -1.603
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: 7, replica: 3
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -101.132248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.132248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.132248 (E_RNA)
where:
Base-Base interactions energy: -44.948
where: short stacking energy: -27.379
Base-Backbone interact. energy: -0.292
local terms energy: -55.892479
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -5.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -92.740127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.740127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.740127 (E_RNA)
where:
Base-Base interactions energy: -40.628
where: short stacking energy: -38.126
Base-Backbone interact. energy: 0.667
local terms energy: -52.779107
where:
bonds (distance) C4'-P energy: -7.859
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -3.725
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: 4
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -83.469358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.469358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.469358 (E_RNA)
where:
Base-Base interactions energy: -34.907
where: short stacking energy: -18.791
Base-Backbone interact. energy: -0.845
local terms energy: -47.717124
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -10.996
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -0.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -87.272803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.272803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.272803 (E_RNA)
where:
Base-Base interactions energy: -38.870
where: short stacking energy: -38.089
Base-Backbone interact. energy: 0.218
local terms energy: -48.620197
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -10.549
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -3.411
tors. eta vs tors. theta energy: -7.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -217.567482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.567482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.567482 (E_RNA)
where:
Base-Base interactions energy: -147.321
where: short stacking energy: -65.332
Base-Backbone interact. energy: 1.475
local terms energy: -71.722320
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -19.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -219.570501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.570501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.570501 (E_RNA)
where:
Base-Base interactions energy: -153.735
where: short stacking energy: -62.445
Base-Backbone interact. energy: -0.105
local terms energy: -65.730515
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -15.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -206.229621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.229621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.229621 (E_RNA)
where:
Base-Base interactions energy: -133.851
where: short stacking energy: -63.294
Base-Backbone interact. energy: -1.010
local terms energy: -71.368765
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -18.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -201.561159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.561159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.561159 (E_RNA)
where:
Base-Base interactions energy: -130.961
where: short stacking energy: -58.344
Base-Backbone interact. energy: -0.090
local terms energy: -70.509994
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -17.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -114.579605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.579605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.579605 (E_RNA)
where:
Base-Base interactions energy: -48.667
where: short stacking energy: -37.196
Base-Backbone interact. energy: -0.103
local terms energy: -65.809396
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -8.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -152.216521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.216521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.216521 (E_RNA)
where:
Base-Base interactions energy: -92.178
where: short stacking energy: -46.991
Base-Backbone interact. energy: -0.011
local terms energy: -60.027813
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -8.485
flat angles P-C4'-P energy: -5.917
tors. eta vs tors. theta energy: -12.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -93.152483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.152483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.152483 (E_RNA)
where:
Base-Base interactions energy: -38.842
where: short stacking energy: -33.178
Base-Backbone interact. energy: -0.118
local terms energy: -54.192134
where:
bonds (distance) C4'-P energy: -9.677
bonds (distance) P-C4' energy: -11.347
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -11.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -78.247136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.247136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.247136 (E_RNA)
where:
Base-Base interactions energy: -24.026
where: short stacking energy: -24.026
Base-Backbone interact. energy: -0.148
local terms energy: -54.072887
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -6.701
tors. eta vs tors. theta energy: -2.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -90.935048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.935048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.935048 (E_RNA)
where:
Base-Base interactions energy: -46.166
where: short stacking energy: -22.074
Base-Backbone interact. energy: -0.607
local terms energy: -44.161681
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -16.857
flat angles C4'-P-C4' energy: -9.353
flat angles P-C4'-P energy: -5.056
tors. eta vs tors. theta energy: 0.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -85.832958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.832958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.832958 (E_RNA)
where:
Base-Base interactions energy: -35.434
where: short stacking energy: -34.104
Base-Backbone interact. energy: 0.543
local terms energy: -50.942584
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -5.383
tors. eta vs tors. theta energy: -7.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -219.493467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.493467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.493467 (E_RNA)
where:
Base-Base interactions energy: -141.035
where: short stacking energy: -70.161
Base-Backbone interact. energy: -0.012
local terms energy: -78.446182
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -18.815
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -18.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -207.116496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.116496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.116496 (E_RNA)
where:
Base-Base interactions energy: -141.867
where: short stacking energy: -52.666
Base-Backbone interact. energy: -1.333
local terms energy: -63.916513
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -10.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -199.361895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.361895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.361895 (E_RNA)
where:
Base-Base interactions energy: -125.796
where: short stacking energy: -63.758
Base-Backbone interact. energy: -0.011
local terms energy: -73.554457
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -19.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -212.295850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.295850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.295850 (E_RNA)
where:
Base-Base interactions energy: -142.098
where: short stacking energy: -68.452
Base-Backbone interact. energy: -0.000
local terms energy: -70.197891
where:
bonds (distance) C4'-P energy: -8.911
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -20.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -165.715817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.715817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.715817 (E_RNA)
where:
Base-Base interactions energy: -102.744
where: short stacking energy: -48.192
Base-Backbone interact. energy: -0.067
local terms energy: -62.904758
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -13.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -111.091647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.091647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.091647 (E_RNA)
where:
Base-Base interactions energy: -56.166
where: short stacking energy: -39.992
Base-Backbone interact. energy: -0.105
local terms energy: -54.820491
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -11.084
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -5.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -101.471737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.471737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.471737 (E_RNA)
where:
Base-Base interactions energy: -37.004
where: short stacking energy: -33.122
Base-Backbone interact. energy: -0.012
local terms energy: -64.455771
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -9.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -92.336611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.336611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.336611 (E_RNA)
where:
Base-Base interactions energy: -31.751
where: short stacking energy: -30.297
Base-Backbone interact. energy: 0.056
local terms energy: -60.641029
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -11.343
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -7.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -86.006174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.006174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.006174 (E_RNA)
where:
Base-Base interactions energy: -37.485
where: short stacking energy: -24.567
Base-Backbone interact. energy: -0.101
local terms energy: -48.420351
where:
bonds (distance) C4'-P energy: -16.677
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -9.627
flat angles P-C4'-P energy: -2.711
tors. eta vs tors. theta energy: -3.605
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: 10
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -78.294051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.294051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.294051 (E_RNA)
where:
Base-Base interactions energy: -25.822
where: short stacking energy: -24.247
Base-Backbone interact. energy: -0.223
local terms energy: -52.249647
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -9.876
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -4.758
tors. eta vs tors. theta energy: -8.860
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: 1, replica: 9
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -230.627596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.627596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.627596 (E_RNA)
where:
Base-Base interactions energy: -154.761
where: short stacking energy: -67.799
Base-Backbone interact. energy: -0.085
local terms energy: -75.781251
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -18.251
flat angles P-C4'-P energy: -11.676
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: 469
Temperature: 0.950000
Total energy: -205.862206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.862206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.862206 (E_RNA)
where:
Base-Base interactions energy: -135.325
where: short stacking energy: -61.290
Base-Backbone interact. energy: -0.009
local terms energy: -70.527458
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -18.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -205.908880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.908880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.908880 (E_RNA)
where:
Base-Base interactions energy: -143.502
where: short stacking energy: -54.996
Base-Backbone interact. energy: -0.091
local terms energy: -62.315669
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -8.329
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: 2
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -217.753439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.753439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.753439 (E_RNA)
where:
Base-Base interactions energy: -140.389
where: short stacking energy: -60.282
Base-Backbone interact. energy: 0.611
local terms energy: -77.975526
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -17.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -152.818965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.818965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.818965 (E_RNA)
where:
Base-Base interactions energy: -96.593
where: short stacking energy: -41.956
Base-Backbone interact. energy: -0.830
local terms energy: -55.395903
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -3.491
tors. eta vs tors. theta energy: -8.200
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: 5
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -120.819585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.819585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.819585 (E_RNA)
where:
Base-Base interactions energy: -53.738
where: short stacking energy: -53.738
Base-Backbone interact. energy: -1.225
local terms energy: -65.857035
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -7.808
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: 4
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -89.660139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.660139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.660139 (E_RNA)
where:
Base-Base interactions energy: -44.951
where: short stacking energy: -34.159
Base-Backbone interact. energy: -0.021
local terms energy: -44.688676
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: 0.171
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: 8, replica: 1
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -96.835303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.835303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.835303 (E_RNA)
where:
Base-Base interactions energy: -33.851
where: short stacking energy: -26.865
Base-Backbone interact. energy: -0.436
local terms energy: -62.548146
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -6.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -77.191896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.191896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.191896 (E_RNA)
where:
Base-Base interactions energy: -34.188
where: short stacking energy: -34.188
Base-Backbone interact. energy: -1.111
local terms energy: -41.892756
where:
bonds (distance) C4'-P energy: -3.562
bonds (distance) P-C4' energy: -12.550
flat angles C4'-P-C4' energy: -12.001
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -3.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -74.802513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.802513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.802513 (E_RNA)
where:
Base-Base interactions energy: -33.289
where: short stacking energy: -27.123
Base-Backbone interact. energy: -0.257
local terms energy: -41.256896
where:
bonds (distance) C4'-P energy: -8.767
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -9.160
flat angles P-C4'-P energy: -6.101
tors. eta vs tors. theta energy: -0.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -220.064478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.064478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.064478 (E_RNA)
where:
Base-Base interactions energy: -140.543
where: short stacking energy: -69.570
Base-Backbone interact. energy: -0.003
local terms energy: -79.518435
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -16.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -209.009841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.009841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.009841 (E_RNA)
where:
Base-Base interactions energy: -132.906
where: short stacking energy: -63.745
Base-Backbone interact. energy: -0.151
local terms energy: -75.952366
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -18.835
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: 2
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -214.584793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.584793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.584793 (E_RNA)
where:
Base-Base interactions energy: -139.212
where: short stacking energy: -64.132
Base-Backbone interact. energy: -0.031
local terms energy: -75.341664
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -17.189
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -17.348
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: 4, replica: 8
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -213.545615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.545615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.545615 (E_RNA)
where:
Base-Base interactions energy: -138.408
where: short stacking energy: -54.301
Base-Backbone interact. energy: -0.917
local terms energy: -74.220369
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -17.471
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -16.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -155.515791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.515791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.515791 (E_RNA)
where:
Base-Base interactions energy: -92.549
where: short stacking energy: -41.432
Base-Backbone interact. energy: -0.011
local terms energy: -62.955632
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -13.060
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: 6, replica: 5
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -115.494224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.494224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.494224 (E_RNA)
where:
Base-Base interactions energy: -64.773
where: short stacking energy: -28.624
Base-Backbone interact. energy: -1.886
local terms energy: -48.835355
where:
bonds (distance) C4'-P energy: -7.769
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -9.986
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -5.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -112.656212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.656212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.656212 (E_RNA)
where:
Base-Base interactions energy: -49.308
where: short stacking energy: -47.956
Base-Backbone interact. energy: -0.072
local terms energy: -63.275511
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -8.556
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: 8, replica: 4
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -89.584426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.584426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.584426 (E_RNA)
where:
Base-Base interactions energy: -35.585
where: short stacking energy: -24.756
Base-Backbone interact. energy: -0.176
local terms energy: -53.823573
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -1.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -85.852172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.852172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.852172 (E_RNA)
where:
Base-Base interactions energy: -29.770
where: short stacking energy: -28.557
Base-Backbone interact. energy: -0.405
local terms energy: -55.676881
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -15.267
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: -3.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -73.231386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.231386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.231386 (E_RNA)
where:
Base-Base interactions energy: -28.687
where: short stacking energy: -26.657
Base-Backbone interact. energy: -0.138
local terms energy: -44.406666
where:
bonds (distance) C4'-P energy: -9.412
bonds (distance) P-C4' energy: -10.780
flat angles C4'-P-C4' energy: -8.918
flat angles P-C4'-P energy: -9.352
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: 1, replica: 9
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -230.482781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.482781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.482781 (E_RNA)
where:
Base-Base interactions energy: -146.419
where: short stacking energy: -75.437
Base-Backbone interact. energy: -0.001
local terms energy: -84.063669
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -21.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -226.139054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.139054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.139054 (E_RNA)
where:
Base-Base interactions energy: -146.502
where: short stacking energy: -65.737
Base-Backbone interact. energy: -0.059
local terms energy: -79.577392
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -10.644
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: 6
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -207.208914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.208914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.208914 (E_RNA)
where:
Base-Base interactions energy: -140.296
where: short stacking energy: -64.623
Base-Backbone interact. energy: -0.001
local terms energy: -66.912522
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -9.244
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: 4, replica: 8
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -203.230561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.230561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.230561 (E_RNA)
where:
Base-Base interactions energy: -145.734
where: short stacking energy: -61.558
Base-Backbone interact. energy: -0.203
local terms energy: -57.293919
where:
bonds (distance) C4'-P energy: -8.397
bonds (distance) P-C4' energy: -13.309
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -6.652
tors. eta vs tors. theta energy: -13.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -171.685255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.685255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.685255 (E_RNA)
where:
Base-Base interactions energy: -108.961
where: short stacking energy: -52.093
Base-Backbone interact. energy: -0.754
local terms energy: -61.970234
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -6.604
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: 6, replica: 1
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -108.796067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.796067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.796067 (E_RNA)
where:
Base-Base interactions energy: -42.783
where: short stacking energy: -41.783
Base-Backbone interact. energy: -0.145
local terms energy: -65.868016
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -12.593
tors. eta vs tors. theta energy: -10.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -87.238665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.238665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.238665 (E_RNA)
where:
Base-Base interactions energy: -32.765
where: short stacking energy: -32.765
Base-Backbone interact. energy: -0.022
local terms energy: -54.451985
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -1.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -93.664228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.664228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.664228 (E_RNA)
where:
Base-Base interactions energy: -39.492
where: short stacking energy: -33.164
Base-Backbone interact. energy: 0.977
local terms energy: -55.148512
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -10.444
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -5.138
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: 4
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -96.300589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.300589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.300589 (E_RNA)
where:
Base-Base interactions energy: -48.436
where: short stacking energy: -22.128
Base-Backbone interact. energy: -0.025
local terms energy: -47.839630
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -6.004
tors. eta vs tors. theta energy: 1.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -82.976864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.976864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.976864 (E_RNA)
where:
Base-Base interactions energy: -41.579
where: short stacking energy: -36.521
Base-Backbone interact. energy: -0.150
local terms energy: -41.247334
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -5.857
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -4.886
tors. eta vs tors. theta energy: -5.899
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: 472
Temperature: 0.900000
Total energy: -220.777841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.777841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.777841 (E_RNA)
where:
Base-Base interactions energy: -158.030
where: short stacking energy: -73.733
Base-Backbone interact. energy: -0.004
local terms energy: -62.744572
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -8.395
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -20.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -221.398489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.398489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.398489 (E_RNA)
where:
Base-Base interactions energy: -137.301
where: short stacking energy: -61.695
Base-Backbone interact. energy: -1.391
local terms energy: -82.706782
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -13.517
tors. eta vs tors. theta energy: -22.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -212.140411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.140411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.140411 (E_RNA)
where:
Base-Base interactions energy: -142.030
where: short stacking energy: -54.696
Base-Backbone interact. energy: -0.736
local terms energy: -69.374525
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -14.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -200.782409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.782409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.782409 (E_RNA)
where:
Base-Base interactions energy: -130.703
where: short stacking energy: -69.992
Base-Backbone interact. energy: -0.056
local terms energy: -70.022863
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -16.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -176.369997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.369997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.369997 (E_RNA)
where:
Base-Base interactions energy: -108.169
where: short stacking energy: -51.020
Base-Backbone interact. energy: -0.286
local terms energy: -67.914377
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -11.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -99.563643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.563643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.563643 (E_RNA)
where:
Base-Base interactions energy: -42.970
where: short stacking energy: -25.429
Base-Backbone interact. energy: 0.132
local terms energy: -56.724992
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -4.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -93.923737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.923737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.923737 (E_RNA)
where:
Base-Base interactions energy: -35.113
where: short stacking energy: -33.960
Base-Backbone interact. energy: -0.128
local terms energy: -58.682534
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -10.108
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -6.317
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: 8, replica: 10
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -91.257225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.257225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.257225 (E_RNA)
where:
Base-Base interactions energy: -45.594
where: short stacking energy: -29.128
Base-Backbone interact. energy: -0.540
local terms energy: -45.123375
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -11.055
flat angles C4'-P-C4' energy: -8.839
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -3.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -83.340589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.340589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.340589 (E_RNA)
where:
Base-Base interactions energy: -26.933
where: short stacking energy: -21.068
Base-Backbone interact. energy: 0.292
local terms energy: -56.699454
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -3.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -74.336463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.336463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.336463 (E_RNA)
where:
Base-Base interactions energy: -30.188
where: short stacking energy: -11.562
Base-Backbone interact. energy: 0.642
local terms energy: -44.790885
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -11.788
flat angles C4'-P-C4' energy: -10.843
flat angles P-C4'-P energy: -5.991
tors. eta vs tors. theta energy: -3.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -222.437093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.437093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.437093 (E_RNA)
where:
Base-Base interactions energy: -146.154
where: short stacking energy: -71.661
Base-Backbone interact. energy: -1.373
local terms energy: -74.910968
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -11.441
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -13.813
tors. eta vs tors. theta energy: -21.627
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: 9
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -221.725233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.725233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.725233 (E_RNA)
where:
Base-Base interactions energy: -145.196
where: short stacking energy: -55.702
Base-Backbone interact. energy: -0.385
local terms energy: -76.144178
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -20.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -205.595845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.595845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.595845 (E_RNA)
where:
Base-Base interactions energy: -134.661
where: short stacking energy: -55.301
Base-Backbone interact. energy: -1.601
local terms energy: -69.334109
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -16.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -196.672289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.672289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.672289 (E_RNA)
where:
Base-Base interactions energy: -126.323
where: short stacking energy: -63.468
Base-Backbone interact. energy: -0.412
local terms energy: -69.937579
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -18.141
flat angles P-C4'-P energy: -5.599
tors. eta vs tors. theta energy: -17.288
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: 5, replica: 7
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -164.174211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.174211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.174211 (E_RNA)
where:
Base-Base interactions energy: -99.873
where: short stacking energy: -59.857
Base-Backbone interact. energy: -0.192
local terms energy: -64.109245
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -9.241
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: 6, replica: 5
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -105.143315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.143315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.143315 (E_RNA)
where:
Base-Base interactions energy: -46.927
where: short stacking energy: -31.075
Base-Backbone interact. energy: -1.850
local terms energy: -56.365628
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -4.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -106.486565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.486565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.486565 (E_RNA)
where:
Base-Base interactions energy: -46.966
where: short stacking energy: -46.966
Base-Backbone interact. energy: 0.432
local terms energy: -59.952528
where:
bonds (distance) C4'-P energy: -9.366
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -12.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -109.147543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.147543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.147543 (E_RNA)
where:
Base-Base interactions energy: -59.934
where: short stacking energy: -26.746
Base-Backbone interact. energy: -0.019
local terms energy: -49.194211
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -3.585
tors. eta vs tors. theta energy: -3.264
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: 9, replica: 10
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -80.259274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.259274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.259274 (E_RNA)
where:
Base-Base interactions energy: -22.108
where: short stacking energy: -22.108
Base-Backbone interact. energy: 1.317
local terms energy: -59.468308
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -3.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -79.001319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.001319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.001319 (E_RNA)
where:
Base-Base interactions energy: -31.190
where: short stacking energy: -31.190
Base-Backbone interact. energy: -0.090
local terms energy: -47.721806
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -1.574
tors. eta vs tors. theta energy: -4.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -219.610465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.610465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.610465 (E_RNA)
where:
Base-Base interactions energy: -147.029
where: short stacking energy: -72.718
Base-Backbone interact. energy: -0.159
local terms energy: -72.422873
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -5.770
tors. eta vs tors. theta energy: -22.464
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: 474
Temperature: 0.950000
Total energy: -217.656680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.656680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.656680 (E_RNA)
where:
Base-Base interactions energy: -136.879
where: short stacking energy: -67.662
Base-Backbone interact. energy: -0.595
local terms energy: -80.182600
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -17.836
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -18.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -213.626005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.626005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.626005 (E_RNA)
where:
Base-Base interactions energy: -138.167
where: short stacking energy: -60.733
Base-Backbone interact. energy: 0.277
local terms energy: -75.736122
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -9.387
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: 4, replica: 6
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -200.089744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.089744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.089744 (E_RNA)
where:
Base-Base interactions energy: -131.485
where: short stacking energy: -67.077
Base-Backbone interact. energy: -0.115
local terms energy: -68.489699
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -10.451
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: 5, replica: 5
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -112.403301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.403301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.403301 (E_RNA)
where:
Base-Base interactions energy: -56.460
where: short stacking energy: -42.743
Base-Backbone interact. energy: -0.089
local terms energy: -55.854605
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -7.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -182.057630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.057630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.057630 (E_RNA)
where:
Base-Base interactions energy: -113.163
where: short stacking energy: -69.387
Base-Backbone interact. energy: -0.005
local terms energy: -68.889893
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -6.317
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: 7, replica: 3
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -105.107225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.107225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.107225 (E_RNA)
where:
Base-Base interactions energy: -59.533
where: short stacking energy: -27.577
Base-Backbone interact. energy: -0.120
local terms energy: -45.453770
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -11.060
flat angles P-C4'-P energy: -4.605
tors. eta vs tors. theta energy: 1.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -77.432892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.432892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.432892 (E_RNA)
where:
Base-Base interactions energy: -36.633
where: short stacking energy: -36.633
Base-Backbone interact. energy: -0.173
local terms energy: -40.627193
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -9.762
flat angles P-C4'-P energy: -4.678
tors. eta vs tors. theta energy: -4.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -92.399900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.399900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.399900 (E_RNA)
where:
Base-Base interactions energy: -51.317
where: short stacking energy: -33.592
Base-Backbone interact. energy: 0.085
local terms energy: -41.168777
where:
bonds (distance) C4'-P energy: -3.878
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -6.030
tors. eta vs tors. theta energy: -6.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -74.167676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.167676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.167676 (E_RNA)
where:
Base-Base interactions energy: -21.610
where: short stacking energy: -17.822
Base-Backbone interact. energy: 0.499
local terms energy: -53.056777
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: 1.028
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: 9
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -224.818542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.818542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.818542 (E_RNA)
where:
Base-Base interactions energy: -146.743
where: short stacking energy: -67.670
Base-Backbone interact. energy: -0.123
local terms energy: -77.952852
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -16.753
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -20.025
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: 8
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -223.533413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.533413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.533413 (E_RNA)
where:
Base-Base interactions energy: -146.503
where: short stacking energy: -70.232
Base-Backbone interact. energy: -0.019
local terms energy: -77.010777
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -17.381
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -21.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -211.558730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.558730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.558730 (E_RNA)
where:
Base-Base interactions energy: -139.198
where: short stacking energy: -64.618
Base-Backbone interact. energy: -0.023
local terms energy: -72.337674
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -19.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -113.003062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.003062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.003062 (E_RNA)
where:
Base-Base interactions energy: -58.696
where: short stacking energy: -39.635
Base-Backbone interact. energy: -0.156
local terms energy: -54.151041
where:
bonds (distance) C4'-P energy: -8.175
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -4.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -191.221701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.221701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.221701 (E_RNA)
where:
Base-Base interactions energy: -117.959
where: short stacking energy: -58.630
Base-Backbone interact. energy: -0.808
local terms energy: -72.454293
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -10.582
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: 6, replica: 7
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -144.451271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.451271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.451271 (E_RNA)
where:
Base-Base interactions energy: -86.796
where: short stacking energy: -44.227
Base-Backbone interact. energy: -0.137
local terms energy: -57.518308
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -10.853
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -6.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -99.350246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.350246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.350246 (E_RNA)
where:
Base-Base interactions energy: -37.883
where: short stacking energy: -36.986
Base-Backbone interact. energy: -0.165
local terms energy: -61.302167
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -9.577
flat angles P-C4'-P energy: -11.084
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: 8, replica: 4
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -86.014106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.014106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.014106 (E_RNA)
where:
Base-Base interactions energy: -34.638
where: short stacking energy: -22.083
Base-Backbone interact. energy: -0.266
local terms energy: -51.110351
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -17.700
flat angles C4'-P-C4' energy: -10.227
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: 0.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -84.585448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.585448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.585448 (E_RNA)
where:
Base-Base interactions energy: -38.352
where: short stacking energy: -24.475
Base-Backbone interact. energy: -0.392
local terms energy: -45.842026
where:
bonds (distance) C4'-P energy: -10.487
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -1.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -74.723496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.723496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.723496 (E_RNA)
where:
Base-Base interactions energy: -29.719
where: short stacking energy: -20.145
Base-Backbone interact. energy: -0.107
local terms energy: -44.897411
where:
bonds (distance) C4'-P energy: -9.698
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -4.431
tors. eta vs tors. theta energy: -0.029
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: 9
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -223.606061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.606061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.606061 (E_RNA)
where:
Base-Base interactions energy: -141.582
where: short stacking energy: -56.808
Base-Backbone interact. energy: -1.911
local terms energy: -80.113271
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -20.021
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: 8
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -221.310580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.310580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.310580 (E_RNA)
where:
Base-Base interactions energy: -151.401
where: short stacking energy: -77.687
Base-Backbone interact. energy: -0.286
local terms energy: -69.623745
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -21.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -221.324042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.324042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.324042 (E_RNA)
where:
Base-Base interactions energy: -152.931
where: short stacking energy: -68.462
Base-Backbone interact. energy: -0.233
local terms energy: -68.160322
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -11.472
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -8.962
tors. eta vs tors. theta energy: -18.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -120.904658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.904658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.904658 (E_RNA)
where:
Base-Base interactions energy: -64.362
where: short stacking energy: -40.299
Base-Backbone interact. energy: -0.075
local terms energy: -56.467329
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -2.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -163.194321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.194321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.194321 (E_RNA)
where:
Base-Base interactions energy: -105.377
where: short stacking energy: -47.384
Base-Backbone interact. energy: -0.864
local terms energy: -56.953693
where:
bonds (distance) C4'-P energy: -7.208
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -8.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -180.227691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.227691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.227691 (E_RNA)
where:
Base-Base interactions energy: -119.921
where: short stacking energy: -51.631
Base-Backbone interact. energy: -0.157
local terms energy: -60.148772
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -10.508
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: 4
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -107.033440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.033440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.033440 (E_RNA)
where:
Base-Base interactions energy: -50.450
where: short stacking energy: -34.535
Base-Backbone interact. energy: -0.094
local terms energy: -56.489413
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -10.059
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: 8, replica: 3
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -83.596055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.596055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.596055 (E_RNA)
where:
Base-Base interactions energy: -33.526
where: short stacking energy: -26.159
Base-Backbone interact. energy: -0.109
local terms energy: -49.960636
where:
bonds (distance) C4'-P energy: -10.672
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -11.230
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -4.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -81.987503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.987503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.987503 (E_RNA)
where:
Base-Base interactions energy: -25.700
where: short stacking energy: -25.589
Base-Backbone interact. energy: -0.162
local terms energy: -56.126430
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: -6.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -77.704991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.704991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.704991 (E_RNA)
where:
Base-Base interactions energy: -23.335
where: short stacking energy: -21.563
Base-Backbone interact. energy: -0.182
local terms energy: -54.187508
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -1.676
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: 9
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -223.598760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.598760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.598760 (E_RNA)
where:
Base-Base interactions energy: -146.657
where: short stacking energy: -67.062
Base-Backbone interact. energy: -0.004
local terms energy: -76.938156
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -7.314
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: 2, replica: 2
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -215.414155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.414155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.414155 (E_RNA)
where:
Base-Base interactions energy: -140.851
where: short stacking energy: -66.349
Base-Backbone interact. energy: -0.046
local terms energy: -74.518032
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -16.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -218.008472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.008472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.008472 (E_RNA)
where:
Base-Base interactions energy: -140.143
where: short stacking energy: -72.050
Base-Backbone interact. energy: -0.063
local terms energy: -77.803326
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -20.521
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: 4, replica: 7
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -186.135115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.135115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.135115 (E_RNA)
where:
Base-Base interactions energy: -117.311
where: short stacking energy: -64.976
Base-Backbone interact. energy: -0.017
local terms energy: -68.807230
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -14.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -108.947507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.947507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.947507 (E_RNA)
where:
Base-Base interactions energy: -44.764
where: short stacking energy: -43.144
Base-Backbone interact. energy: -0.603
local terms energy: -63.580566
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: -12.472
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: 6, replica: 6
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -168.681772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.681772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.681772 (E_RNA)
where:
Base-Base interactions energy: -103.614
where: short stacking energy: -56.403
Base-Backbone interact. energy: -0.083
local terms energy: -64.984916
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -11.201
flat angles P-C4'-P energy: -4.949
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: 7, replica: 4
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -99.516438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.516438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.516438 (E_RNA)
where:
Base-Base interactions energy: -41.934
where: short stacking energy: -33.560
Base-Backbone interact. energy: -0.101
local terms energy: -57.480964
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -1.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -91.395297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.395297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.395297 (E_RNA)
where:
Base-Base interactions energy: -34.273
where: short stacking energy: -34.273
Base-Backbone interact. energy: -0.083
local terms energy: -57.039555
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -10.346
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -6.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -91.401539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.401539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.401539 (E_RNA)
where:
Base-Base interactions energy: -33.606
where: short stacking energy: -33.003
Base-Backbone interact. energy: -0.104
local terms energy: -57.691522
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -6.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -88.792229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.792229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.792229 (E_RNA)
where:
Base-Base interactions energy: -46.352
where: short stacking energy: -24.091
Base-Backbone interact. energy: -0.045
local terms energy: -42.394912
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -12.210
flat angles P-C4'-P energy: -5.416
tors. eta vs tors. theta energy: 1.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -225.432297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.432297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.432297 (E_RNA)
where:
Base-Base interactions energy: -147.424
where: short stacking energy: -74.281
Base-Backbone interact. energy: -0.577
local terms energy: -77.431913
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -21.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -221.572895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.572895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.572895 (E_RNA)
where:
Base-Base interactions energy: -142.677
where: short stacking energy: -68.567
Base-Backbone interact. energy: -0.803
local terms energy: -78.092964
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -19.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -187.444932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.444932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.444932 (E_RNA)
where:
Base-Base interactions energy: -115.217
where: short stacking energy: -58.295
Base-Backbone interact. energy: -0.080
local terms energy: -72.148372
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -15.320
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -17.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -219.534740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.534740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.534740 (E_RNA)
where:
Base-Base interactions energy: -143.297
where: short stacking energy: -74.187
Base-Backbone interact. energy: -0.020
local terms energy: -76.217183
where:
bonds (distance) C4'-P energy: -13.045
bonds (distance) P-C4' energy: -14.714
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -22.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -185.298053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.298053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.298053 (E_RNA)
where:
Base-Base interactions energy: -119.492
where: short stacking energy: -57.671
Base-Backbone interact. energy: -0.002
local terms energy: -65.803874
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -8.093
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -18.503
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: 5
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -100.987498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.987498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.987498 (E_RNA)
where:
Base-Base interactions energy: -45.447
where: short stacking energy: -38.055
Base-Backbone interact. energy: -0.144
local terms energy: -55.396575
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -9.627
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -10.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -93.269674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.269674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.269674 (E_RNA)
where:
Base-Base interactions energy: -35.426
where: short stacking energy: -37.226
Base-Backbone interact. energy: -0.180
local terms energy: -57.664142
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -1.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -94.519535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.519535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.519535 (E_RNA)
where:
Base-Base interactions energy: -35.794
where: short stacking energy: -29.247
Base-Backbone interact. energy: -0.133
local terms energy: -58.592574
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -6.421
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: 1
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -87.188725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.188725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.188725 (E_RNA)
where:
Base-Base interactions energy: -39.217
where: short stacking energy: -20.802
Base-Backbone interact. energy: -0.901
local terms energy: -47.069929
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -10.428
flat angles P-C4'-P energy: -6.825
tors. eta vs tors. theta energy: -3.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -74.487284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.487284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.487284 (E_RNA)
where:
Base-Base interactions energy: -35.822
where: short stacking energy: -21.282
Base-Backbone interact. energy: 0.473
local terms energy: -39.138752
where:
bonds (distance) C4'-P energy: -10.572
bonds (distance) P-C4' energy: -8.325
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: 1.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -226.504102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.504102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.504102 (E_RNA)
where:
Base-Base interactions energy: -146.314
where: short stacking energy: -71.436
Base-Backbone interact. energy: -0.073
local terms energy: -80.117759
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -20.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -222.977596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.977596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.977596 (E_RNA)
where:
Base-Base interactions energy: -145.381
where: short stacking energy: -71.810
Base-Backbone interact. energy: -0.001
local terms energy: -77.595760
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -20.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -180.864293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.864293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.864293 (E_RNA)
where:
Base-Base interactions energy: -110.811
where: short stacking energy: -60.646
Base-Backbone interact. energy: -0.445
local terms energy: -69.608054
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -14.222
tors. eta vs tors. theta energy: -13.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -205.841465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.841465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.841465 (E_RNA)
where:
Base-Base interactions energy: -135.274
where: short stacking energy: -63.004
Base-Backbone interact. energy: -0.260
local terms energy: -70.307748
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -7.094
tors. eta vs tors. theta energy: -21.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -170.628099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.628099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.628099 (E_RNA)
where:
Base-Base interactions energy: -106.467
where: short stacking energy: -43.742
Base-Backbone interact. energy: -0.147
local terms energy: -64.014342
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -10.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -97.813586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.813586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.813586 (E_RNA)
where:
Base-Base interactions energy: -38.865
where: short stacking energy: -38.865
Base-Backbone interact. energy: -0.042
local terms energy: -58.906792
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -8.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -97.835580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.835580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.835580 (E_RNA)
where:
Base-Base interactions energy: -48.708
where: short stacking energy: -26.130
Base-Backbone interact. energy: -0.720
local terms energy: -48.407409
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -0.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -87.899878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.899878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.899878 (E_RNA)
where:
Base-Base interactions energy: -31.534
where: short stacking energy: -32.134
Base-Backbone interact. energy: -0.233
local terms energy: -56.132918
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -4.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -88.457089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.457089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.457089 (E_RNA)
where:
Base-Base interactions energy: -36.922
where: short stacking energy: -35.687
Base-Backbone interact. energy: -0.009
local terms energy: -51.525798
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -3.517
tors. eta vs tors. theta energy: -7.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -84.348756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.348756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.348756 (E_RNA)
where:
Base-Base interactions energy: -40.926
where: short stacking energy: -35.412
Base-Backbone interact. energy: 0.510
local terms energy: -43.933069
where:
bonds (distance) C4'-P energy: -8.107
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -5.584
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -7.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -218.181764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.181764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.181764 (E_RNA)
where:
Base-Base interactions energy: -145.495
where: short stacking energy: -62.003
Base-Backbone interact. energy: -0.586
local terms energy: -72.101052
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -6.570
tors. eta vs tors. theta energy: -18.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -221.189035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.189035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.189035 (E_RNA)
where:
Base-Base interactions energy: -138.951
where: short stacking energy: -66.580
Base-Backbone interact. energy: -0.008
local terms energy: -82.230083
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -20.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -208.017974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.017974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.017974 (E_RNA)
where:
Base-Base interactions energy: -136.162
where: short stacking energy: -59.781
Base-Backbone interact. energy: -0.345
local terms energy: -71.510556
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -16.261
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -6.262
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: 4, replica: 7
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -179.019679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.019679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.019679 (E_RNA)
where:
Base-Base interactions energy: -113.672
where: short stacking energy: -55.092
Base-Backbone interact. energy: -0.415
local terms energy: -64.932088
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -12.199
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: 5, replica: 6
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -172.714434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.714434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.714434 (E_RNA)
where:
Base-Base interactions energy: -114.035
where: short stacking energy: -44.326
Base-Backbone interact. energy: 0.260
local terms energy: -58.939744
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -6.399
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: 10
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -92.760512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.760512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.760512 (E_RNA)
where:
Base-Base interactions energy: -39.518
where: short stacking energy: -39.518
Base-Backbone interact. energy: -0.094
local terms energy: -53.148247
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -4.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -117.278273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.278273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.278273 (E_RNA)
where:
Base-Base interactions energy: -56.778
where: short stacking energy: -44.723
Base-Backbone interact. energy: -0.101
local terms energy: -60.399259
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -6.296
tors. eta vs tors. theta energy: -11.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -82.851041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.851041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.851041 (E_RNA)
where:
Base-Base interactions energy: -36.954
where: short stacking energy: -29.202
Base-Backbone interact. energy: 0.474
local terms energy: -46.370520
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -11.213
flat angles P-C4'-P energy: -6.054
tors. eta vs tors. theta energy: -0.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -83.149582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.149582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.149582 (E_RNA)
where:
Base-Base interactions energy: -37.927
where: short stacking energy: -30.694
Base-Backbone interact. energy: 0.069
local terms energy: -45.291650
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -11.878
flat angles P-C4'-P energy: -3.774
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: 10, replica: 3
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -83.760537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.760537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.760537 (E_RNA)
where:
Base-Base interactions energy: -35.976
where: short stacking energy: -27.215
Base-Backbone interact. energy: -0.544
local terms energy: -47.240610
where:
bonds (distance) C4'-P energy: -7.065
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -0.107
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: 2
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -225.156457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.156457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.156457 (E_RNA)
where:
Base-Base interactions energy: -145.727
where: short stacking energy: -68.158
Base-Backbone interact. energy: -0.032
local terms energy: -79.397644
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -19.919
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: 9
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -226.454608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.454608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.454608 (E_RNA)
where:
Base-Base interactions energy: -148.198
where: short stacking energy: -73.151
Base-Backbone interact. energy: -0.003
local terms energy: -78.253600
where:
bonds (distance) C4'-P energy: -11.985
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -20.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -207.126349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.126349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.126349 (E_RNA)
where:
Base-Base interactions energy: -140.587
where: short stacking energy: -66.614
Base-Backbone interact. energy: -0.018
local terms energy: -66.521855
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -8.048
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -17.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -181.650286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.650286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.650286 (E_RNA)
where:
Base-Base interactions energy: -116.223
where: short stacking energy: -49.428
Base-Backbone interact. energy: 0.729
local terms energy: -66.156495
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -11.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -169.302803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.302803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.302803 (E_RNA)
where:
Base-Base interactions energy: -103.759
where: short stacking energy: -57.475
Base-Backbone interact. energy: -0.158
local terms energy: -65.385933
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -11.122
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -10.788
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: 6, replica: 1
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -109.100431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.100431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.100431 (E_RNA)
where:
Base-Base interactions energy: -56.163
where: short stacking energy: -28.554
Base-Backbone interact. energy: -0.848
local terms energy: -52.089300
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -4.664
tors. eta vs tors. theta energy: -5.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -104.674644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.674644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.674644 (E_RNA)
where:
Base-Base interactions energy: -47.861
where: short stacking energy: -38.575
Base-Backbone interact. energy: -1.195
local terms energy: -55.619140
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -10.649
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -10.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -80.604639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.604639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.604639 (E_RNA)
where:
Base-Base interactions energy: -32.694
where: short stacking energy: -27.820
Base-Backbone interact. energy: -0.056
local terms energy: -47.854359
where:
bonds (distance) C4'-P energy: -10.326
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -4.605
tors. eta vs tors. theta energy: -3.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -86.145546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.145546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.145546 (E_RNA)
where:
Base-Base interactions energy: -36.492
where: short stacking energy: -28.008
Base-Backbone interact. energy: -0.057
local terms energy: -49.597032
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -11.732
flat angles P-C4'-P energy: -4.317
tors. eta vs tors. theta energy: -5.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -77.845596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.845596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.845596 (E_RNA)
where:
Base-Base interactions energy: -28.520
where: short stacking energy: -21.782
Base-Backbone interact. energy: -0.138
local terms energy: -49.187002
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -10.997
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -3.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -227.172462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.172462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.172462 (E_RNA)
where:
Base-Base interactions energy: -148.885
where: short stacking energy: -73.709
Base-Backbone interact. energy: -0.820
local terms energy: -77.467512
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -20.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -217.563574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.563574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.563574 (E_RNA)
where:
Base-Base interactions energy: -143.522
where: short stacking energy: -64.525
Base-Backbone interact. energy: -0.250
local terms energy: -73.791465
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -18.279
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: 8
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -217.464601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.464601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.464601 (E_RNA)
where:
Base-Base interactions energy: -141.229
where: short stacking energy: -72.541
Base-Backbone interact. energy: -0.000
local terms energy: -76.235470
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -20.026
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: 6
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -177.494040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.494040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.494040 (E_RNA)
where:
Base-Base interactions energy: -113.511
where: short stacking energy: -56.974
Base-Backbone interact. energy: -0.096
local terms energy: -63.886493
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -13.242
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -12.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -112.115181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.115181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.115181 (E_RNA)
where:
Base-Base interactions energy: -51.561
where: short stacking energy: -43.458
Base-Backbone interact. energy: -0.037
local terms energy: -60.517383
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: -11.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -164.271607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.271607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.271607 (E_RNA)
where:
Base-Base interactions energy: -97.919
where: short stacking energy: -48.705
Base-Backbone interact. energy: -0.146
local terms energy: -66.206376
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -7.913
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -11.997
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: 7, replica: 4
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -84.116601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.116601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.116601 (E_RNA)
where:
Base-Base interactions energy: -34.421
where: short stacking energy: -29.939
Base-Backbone interact. energy: -0.106
local terms energy: -49.589068
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -7.772
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -2.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -94.139295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.139295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.139295 (E_RNA)
where:
Base-Base interactions energy: -41.740
where: short stacking energy: -31.693
Base-Backbone interact. energy: -0.436
local terms energy: -51.963956
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -11.501
flat angles C4'-P-C4' energy: -10.652
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: -8.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -106.610847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.610847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.610847 (E_RNA)
where:
Base-Base interactions energy: -62.724
where: short stacking energy: -33.676
Base-Backbone interact. energy: 1.164
local terms energy: -45.050675
where:
bonds (distance) C4'-P energy: -5.546
bonds (distance) P-C4' energy: -11.562
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -3.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -81.759546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.759546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.759546 (E_RNA)
where:
Base-Base interactions energy: -29.619
where: short stacking energy: -29.967
Base-Backbone interact. energy: -0.103
local terms energy: -52.037393
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -2.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -225.803770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.803770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.803770 (E_RNA)
where:
Base-Base interactions energy: -141.549
where: short stacking energy: -72.280
Base-Backbone interact. energy: -0.239
local terms energy: -84.016591
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -22.519
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: 8
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -215.875406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.875406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.875406 (E_RNA)
where:
Base-Base interactions energy: -142.441
where: short stacking energy: -56.431
Base-Backbone interact. energy: -1.341
local terms energy: -72.094215
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -17.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -208.672176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.672176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.672176 (E_RNA)
where:
Base-Base interactions energy: -139.878
where: short stacking energy: -59.514
Base-Backbone interact. energy: -0.099
local terms energy: -68.695267
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: -16.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -187.542007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.542007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.542007 (E_RNA)
where:
Base-Base interactions energy: -116.768
where: short stacking energy: -62.988
Base-Backbone interact. energy: -0.563
local terms energy: -70.210788
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -14.301
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: 1
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -111.065581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.065581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.065581 (E_RNA)
where:
Base-Base interactions energy: -50.237
where: short stacking energy: -50.150
Base-Backbone interact. energy: -0.088
local terms energy: -60.740874
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -6.631
tors. eta vs tors. theta energy: -12.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -160.606818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.606818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.606818 (E_RNA)
where:
Base-Base interactions energy: -93.642
where: short stacking energy: -39.087
Base-Backbone interact. energy: -0.058
local terms energy: -66.906945
where:
bonds (distance) C4'-P energy: -15.968
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -11.489
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: 7, replica: 4
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -99.355538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.355538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.355538 (E_RNA)
where:
Base-Base interactions energy: -44.006
where: short stacking energy: -34.429
Base-Backbone interact. energy: -0.015
local terms energy: -55.334646
where:
bonds (distance) C4'-P energy: -8.823
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -7.788
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: 8, replica: 3
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -90.959874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.959874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.959874 (E_RNA)
where:
Base-Base interactions energy: -33.915
where: short stacking energy: -33.543
Base-Backbone interact. energy: -0.174
local terms energy: -56.870358
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -6.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -84.686938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.686938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.686938 (E_RNA)
where:
Base-Base interactions energy: -35.691
where: short stacking energy: -27.318
Base-Backbone interact. energy: -0.129
local terms energy: -48.867145
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: 2.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -78.928015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.928015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.928015 (E_RNA)
where:
Base-Base interactions energy: -28.767
where: short stacking energy: -28.440
Base-Backbone interact. energy: -0.220
local terms energy: -49.941026
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -10.030
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -7.692
tors. eta vs tors. theta energy: -4.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -230.153864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.153864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.153864 (E_RNA)
where:
Base-Base interactions energy: -149.928
where: short stacking energy: -72.381
Base-Backbone interact. energy: -0.077
local terms energy: -80.149666
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -20.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -224.241445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.241445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.241445 (E_RNA)
where:
Base-Base interactions energy: -152.737
where: short stacking energy: -68.534
Base-Backbone interact. energy: -0.790
local terms energy: -70.714349
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -20.988
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: 484
Temperature: 1.000000
Total energy: -215.780986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.780986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.780986 (E_RNA)
where:
Base-Base interactions energy: -144.285
where: short stacking energy: -68.647
Base-Backbone interact. energy: -0.084
local terms energy: -71.411173
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -20.860
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: 4, replica: 6
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -191.070572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.070572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.070572 (E_RNA)
where:
Base-Base interactions energy: -121.543
where: short stacking energy: -61.771
Base-Backbone interact. energy: -0.046
local terms energy: -69.481308
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -12.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -188.628719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.628719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.628719 (E_RNA)
where:
Base-Base interactions energy: -115.811
where: short stacking energy: -66.301
Base-Backbone interact. energy: -0.110
local terms energy: -72.707986
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -20.584
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: 6, replica: 1
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -108.647051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.647051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.647051 (E_RNA)
where:
Base-Base interactions energy: -52.548
where: short stacking energy: -42.370
Base-Backbone interact. energy: -0.051
local terms energy: -56.048673
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -16.261
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -7.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -96.966859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.966859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.966859 (E_RNA)
where:
Base-Base interactions energy: -44.367
where: short stacking energy: -42.283
Base-Backbone interact. energy: -0.091
local terms energy: -52.508863
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -12.776
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -4.600
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: 8, replica: 3
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -85.802635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.802635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.802635 (E_RNA)
where:
Base-Base interactions energy: -31.877
where: short stacking energy: -31.877
Base-Backbone interact. energy: 0.441
local terms energy: -54.366260
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -2.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -82.509807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.509807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.509807 (E_RNA)
where:
Base-Base interactions energy: -29.171
where: short stacking energy: -24.087
Base-Backbone interact. energy: 1.208
local terms energy: -54.545920
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -11.110
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -1.861
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: 10, replica: 5
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -80.205293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.205293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.205293 (E_RNA)
where:
Base-Base interactions energy: -28.547
where: short stacking energy: -24.833
Base-Backbone interact. energy: -0.491
local terms energy: -51.167375
where:
bonds (distance) C4'-P energy: -8.718
bonds (distance) P-C4' energy: -10.288
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -5.559
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: 8
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -218.671720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.671720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.671720 (E_RNA)
where:
Base-Base interactions energy: -142.757
where: short stacking energy: -74.291
Base-Backbone interact. energy: -0.699
local terms energy: -75.215182
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -22.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -220.216077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.216077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.216077 (E_RNA)
where:
Base-Base interactions energy: -147.261
where: short stacking energy: -73.687
Base-Backbone interact. energy: -0.303
local terms energy: -72.652812
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -8.747
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: 9
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -221.157383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.157383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.157383 (E_RNA)
where:
Base-Base interactions energy: -145.324
where: short stacking energy: -65.941
Base-Backbone interact. energy: -0.001
local terms energy: -75.831718
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -20.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -174.230778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.230778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.230778 (E_RNA)
where:
Base-Base interactions energy: -109.715
where: short stacking energy: -62.196
Base-Backbone interact. energy: 3.927
local terms energy: -68.443387
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -13.673
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: 6
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -197.749347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.749347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.749347 (E_RNA)
where:
Base-Base interactions energy: -127.830
where: short stacking energy: -63.428
Base-Backbone interact. energy: -0.122
local terms energy: -69.797094
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -18.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -92.832731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.832731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.832731 (E_RNA)
where:
Base-Base interactions energy: -34.889
where: short stacking energy: -34.667
Base-Backbone interact. energy: -0.227
local terms energy: -57.716828
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -10.615
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -6.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -93.274553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.274553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.274553 (E_RNA)
where:
Base-Base interactions energy: -41.076
where: short stacking energy: -36.945
Base-Backbone interact. energy: 0.232
local terms energy: -52.430817
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -9.576
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -7.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -92.849578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.849578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.849578 (E_RNA)
where:
Base-Base interactions energy: -41.039
where: short stacking energy: -26.914
Base-Backbone interact. energy: -0.086
local terms energy: -51.724326
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -2.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -80.951488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.951488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.951488 (E_RNA)
where:
Base-Base interactions energy: -37.071
where: short stacking energy: -36.298
Base-Backbone interact. energy: -0.115
local terms energy: -43.765213
where:
bonds (distance) C4'-P energy: -8.548
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -0.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -80.281720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.281720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.281720 (E_RNA)
where:
Base-Base interactions energy: -34.515
where: short stacking energy: -26.644
Base-Backbone interact. energy: 0.572
local terms energy: -46.337865
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -4.524
tors. eta vs tors. theta energy: -0.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -226.850128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.850128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.850128 (E_RNA)
where:
Base-Base interactions energy: -147.035
where: short stacking energy: -70.917
Base-Backbone interact. energy: -1.191
local terms energy: -78.623973
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -21.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -222.899233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.899233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.899233 (E_RNA)
where:
Base-Base interactions energy: -143.567
where: short stacking energy: -58.199
Base-Backbone interact. energy: -0.429
local terms energy: -78.903711
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -20.509
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: 486
Temperature: 1.000000
Total energy: -225.917713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.917713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.917713 (E_RNA)
where:
Base-Base interactions energy: -146.495
where: short stacking energy: -66.946
Base-Backbone interact. energy: -0.019
local terms energy: -79.404147
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -22.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -183.826874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.826874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.826874 (E_RNA)
where:
Base-Base interactions energy: -111.540
where: short stacking energy: -55.236
Base-Backbone interact. energy: -0.375
local terms energy: -71.912027
where:
bonds (distance) C4'-P energy: -11.972
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -14.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -185.359069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.359069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.359069 (E_RNA)
where:
Base-Base interactions energy: -112.078
where: short stacking energy: -52.288
Base-Backbone interact. energy: -0.067
local terms energy: -73.214020
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -16.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -92.000242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.000242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.000242 (E_RNA)
where:
Base-Base interactions energy: -37.017
where: short stacking energy: -29.040
Base-Backbone interact. energy: 0.077
local terms energy: -55.060538
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -4.569
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: 7, replica: 1
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -100.267711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.267711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.267711 (E_RNA)
where:
Base-Base interactions energy: -45.786
where: short stacking energy: -36.756
Base-Backbone interact. energy: -0.271
local terms energy: -54.211381
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -11.114
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -8.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -85.957440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.957440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.957440 (E_RNA)
where:
Base-Base interactions energy: -29.541
where: short stacking energy: -25.203
Base-Backbone interact. energy: 0.958
local terms energy: -57.374573
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -5.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -89.258235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.258235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.258235 (E_RNA)
where:
Base-Base interactions energy: -47.260
where: short stacking energy: -31.081
Base-Backbone interact. energy: -0.073
local terms energy: -41.925156
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -9.552
flat angles C4'-P-C4' energy: -10.516
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: 1.093
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: 5
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -83.504284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.504284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.504284 (E_RNA)
where:
Base-Base interactions energy: -31.067
where: short stacking energy: -31.067
Base-Backbone interact. energy: -0.962
local terms energy: -51.475468
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -5.798
tors. eta vs tors. theta energy: -6.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -221.415976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.415976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.415976 (E_RNA)
where:
Base-Base interactions energy: -133.589
where: short stacking energy: -68.598
Base-Backbone interact. energy: -0.932
local terms energy: -86.894742
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -14.193
tors. eta vs tors. theta energy: -22.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -230.180559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.180559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.180559 (E_RNA)
where:
Base-Base interactions energy: -152.011
where: short stacking energy: -70.672
Base-Backbone interact. energy: -0.090
local terms energy: -78.079552
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -15.500
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -21.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -220.146264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.146264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.146264 (E_RNA)
where:
Base-Base interactions energy: -143.887
where: short stacking energy: -66.546
Base-Backbone interact. energy: -0.004
local terms energy: -76.255365
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -22.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -200.309946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.309946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.309946 (E_RNA)
where:
Base-Base interactions energy: -128.305
where: short stacking energy: -63.710
Base-Backbone interact. energy: -0.010
local terms energy: -71.994654
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -10.042
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -17.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -190.258023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.258023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.258023 (E_RNA)
where:
Base-Base interactions energy: -121.842
where: short stacking energy: -66.122
Base-Backbone interact. energy: -0.002
local terms energy: -68.414411
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -13.140
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -17.556
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: 1
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -94.695952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.695952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.695952 (E_RNA)
where:
Base-Base interactions energy: -37.247
where: short stacking energy: -32.754
Base-Backbone interact. energy: 1.321
local terms energy: -58.770258
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -2.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -98.127482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.127482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.127482 (E_RNA)
where:
Base-Base interactions energy: -42.197
where: short stacking energy: -32.738
Base-Backbone interact. energy: -0.697
local terms energy: -55.233523
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -3.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -94.468310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.468310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.468310 (E_RNA)
where:
Base-Base interactions energy: -37.962
where: short stacking energy: -34.297
Base-Backbone interact. energy: -0.054
local terms energy: -56.451871
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -5.704
tors. eta vs tors. theta energy: -10.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -87.589260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.589260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.589260 (E_RNA)
where:
Base-Base interactions energy: -30.762
where: short stacking energy: -30.962
Base-Backbone interact. energy: -0.266
local terms energy: -56.560912
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -6.024
tors. eta vs tors. theta energy: -5.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -83.800439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.800439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.800439 (E_RNA)
where:
Base-Base interactions energy: -32.721
where: short stacking energy: -32.721
Base-Backbone interact. energy: -0.190
local terms energy: -50.889636
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -9.837
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -7.143
tors. eta vs tors. theta energy: -3.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -221.476454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.476454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.476454 (E_RNA)
where:
Base-Base interactions energy: -139.790
where: short stacking energy: -59.708
Base-Backbone interact. energy: -0.465
local terms energy: -81.221783
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: -19.683
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: 2, replica: 8
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -220.820020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.820020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.820020 (E_RNA)
where:
Base-Base interactions energy: -142.287
where: short stacking energy: -71.484
Base-Backbone interact. energy: -0.084
local terms energy: -78.448325
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -21.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -200.983848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.983848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.983848 (E_RNA)
where:
Base-Base interactions energy: -133.392
where: short stacking energy: -66.672
Base-Backbone interact. energy: -0.018
local terms energy: -67.573962
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -15.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -212.620292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.620292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.620292 (E_RNA)
where:
Base-Base interactions energy: -141.700
where: short stacking energy: -62.420
Base-Backbone interact. energy: -0.090
local terms energy: -70.830731
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -9.649
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: 5, replica: 7
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -176.844922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.844922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.844922 (E_RNA)
where:
Base-Base interactions energy: -114.200
where: short stacking energy: -57.237
Base-Backbone interact. energy: -0.249
local terms energy: -62.396066
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -7.751
flat angles C4'-P-C4' energy: -18.496
flat angles P-C4'-P energy: -9.309
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: 6, replica: 1
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -106.526544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.526544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.526544 (E_RNA)
where:
Base-Base interactions energy: -54.304
where: short stacking energy: -41.194
Base-Backbone interact. energy: -0.004
local terms energy: -52.219376
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -10.989
flat angles P-C4'-P energy: -3.800
tors. eta vs tors. theta energy: -9.312
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: 7, replica: 3
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -87.463725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.463725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.463725 (E_RNA)
where:
Base-Base interactions energy: -38.710
where: short stacking energy: -34.448
Base-Backbone interact. energy: -0.088
local terms energy: -48.665551
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -10.821
flat angles P-C4'-P energy: -7.201
tors. eta vs tors. theta energy: -4.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -86.664105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.664105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.664105 (E_RNA)
where:
Base-Base interactions energy: -36.434
where: short stacking energy: -32.980
Base-Backbone interact. energy: -0.387
local terms energy: -49.843521
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -5.100
flat angles P-C4'-P energy: -5.696
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: 9, replica: 5
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -82.783352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.783352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.783352 (E_RNA)
where:
Base-Base interactions energy: -40.014
where: short stacking energy: -39.003
Base-Backbone interact. energy: -0.769
local terms energy: -41.999762
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -8.116
flat angles C4'-P-C4' energy: -9.954
flat angles P-C4'-P energy: -4.153
tors. eta vs tors. theta energy: -3.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -81.242778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.242778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.242778 (E_RNA)
where:
Base-Base interactions energy: -34.800
where: short stacking energy: -34.800
Base-Backbone interact. energy: -0.392
local terms energy: -46.051157
where:
bonds (distance) C4'-P energy: -9.851
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -3.623
tors. eta vs tors. theta energy: -1.052
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: 489
Temperature: 0.900000
Total energy: -217.682015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.682015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.682015 (E_RNA)
where:
Base-Base interactions energy: -143.528
where: short stacking energy: -60.931
Base-Backbone interact. energy: -0.156
local terms energy: -73.997904
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -16.872
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -20.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -215.613032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.613032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.613032 (E_RNA)
where:
Base-Base interactions energy: -141.832
where: short stacking energy: -69.502
Base-Backbone interact. energy: -0.093
local terms energy: -73.687546
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -14.845
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -17.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -208.388143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.388143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.388143 (E_RNA)
where:
Base-Base interactions energy: -141.627
where: short stacking energy: -68.379
Base-Backbone interact. energy: -0.104
local terms energy: -66.657364
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -12.084
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -17.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -206.871670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.871670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.871670 (E_RNA)
where:
Base-Base interactions energy: -135.568
where: short stacking energy: -64.521
Base-Backbone interact. energy: -0.016
local terms energy: -71.287269
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -16.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -164.896351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.896351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.896351 (E_RNA)
where:
Base-Base interactions energy: -93.686
where: short stacking energy: -48.859
Base-Backbone interact. energy: -0.083
local terms energy: -71.127240
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -11.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -97.162965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.162965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.162965 (E_RNA)
where:
Base-Base interactions energy: -39.301
where: short stacking energy: -34.425
Base-Backbone interact. energy: 0.631
local terms energy: -58.493342
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -8.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -103.039365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.039365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.039365 (E_RNA)
where:
Base-Base interactions energy: -49.256
where: short stacking energy: -36.303
Base-Backbone interact. energy: -0.014
local terms energy: -53.769806
where:
bonds (distance) C4'-P energy: -12.378
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -3.842
tors. eta vs tors. theta energy: -11.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -80.093365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.093365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.093365 (E_RNA)
where:
Base-Base interactions energy: -26.901
where: short stacking energy: -22.475
Base-Backbone interact. energy: -0.113
local terms energy: -53.079759
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -12.622
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -2.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -86.649541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.649541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.649541 (E_RNA)
where:
Base-Base interactions energy: -25.669
where: short stacking energy: -25.350
Base-Backbone interact. energy: -0.192
local terms energy: -60.788070
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -6.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -81.882904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.882904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.882904 (E_RNA)
where:
Base-Base interactions energy: -35.197
where: short stacking energy: -18.693
Base-Backbone interact. energy: 0.779
local terms energy: -47.464905
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -9.956
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: 4.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -226.360835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.360835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.360835 (E_RNA)
where:
Base-Base interactions energy: -151.554
where: short stacking energy: -61.058
Base-Backbone interact. energy: -0.251
local terms energy: -74.555330
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -10.495
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: 2, replica: 2
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -217.410874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.410874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.410874 (E_RNA)
where:
Base-Base interactions energy: -142.758
where: short stacking energy: -60.437
Base-Backbone interact. energy: -0.904
local terms energy: -73.748993
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -17.929
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: 6
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -215.176180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.176180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.176180 (E_RNA)
where:
Base-Base interactions energy: -140.910
where: short stacking energy: -62.940
Base-Backbone interact. energy: 0.724
local terms energy: -74.991024
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -16.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -211.888113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.888113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.888113 (E_RNA)
where:
Base-Base interactions energy: -138.457
where: short stacking energy: -66.765
Base-Backbone interact. energy: -0.188
local terms energy: -73.243193
where:
bonds (distance) C4'-P energy: -10.502
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -12.339
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: 5, replica: 7
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -160.214286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.214286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.214286 (E_RNA)
where:
Base-Base interactions energy: -95.254
where: short stacking energy: -46.479
Base-Backbone interact. energy: -0.215
local terms energy: -64.745093
where:
bonds (distance) C4'-P energy: -8.146
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -15.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -90.506645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.506645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.506645 (E_RNA)
where:
Base-Base interactions energy: -34.010
where: short stacking energy: -31.362
Base-Backbone interact. energy: 0.856
local terms energy: -57.352589
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -1.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -75.629844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.629844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.629844 (E_RNA)
where:
Base-Base interactions energy: -26.863
where: short stacking energy: -26.863
Base-Backbone interact. energy: -0.689
local terms energy: -48.077913
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -11.741
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -6.243
tors. eta vs tors. theta energy: 0.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -85.091244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.091244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.091244 (E_RNA)
where:
Base-Base interactions energy: -38.395
where: short stacking energy: -37.882
Base-Backbone interact. energy: -0.049
local terms energy: -46.647581
where:
bonds (distance) C4'-P energy: -4.800
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -9.614
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -7.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -89.096664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.096664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.096664 (E_RNA)
where:
Base-Base interactions energy: -40.603
where: short stacking energy: -29.149
Base-Backbone interact. energy: -0.632
local terms energy: -47.861786
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -12.330
flat angles C4'-P-C4' energy: -10.641
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -2.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -77.587196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.587196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.587196 (E_RNA)
where:
Base-Base interactions energy: -21.529
where: short stacking energy: -19.758
Base-Backbone interact. energy: 1.934
local terms energy: -57.992126
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -1.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -222.983369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.983369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.983369 (E_RNA)
where:
Base-Base interactions energy: -148.233
where: short stacking energy: -62.944
Base-Backbone interact. energy: -0.056
local terms energy: -74.694108
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -9.098
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: 6
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -214.615454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.615454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.615454 (E_RNA)
where:
Base-Base interactions energy: -148.625
where: short stacking energy: -66.480
Base-Backbone interact. energy: -0.052
local terms energy: -65.938579
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -10.121
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: 3, replica: 2
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -212.205552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.205552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.205552 (E_RNA)
where:
Base-Base interactions energy: -143.775
where: short stacking energy: -55.597
Base-Backbone interact. energy: -0.995
local terms energy: -67.435370
where:
bonds (distance) C4'-P energy: -13.455
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -18.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -213.766311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.766311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.766311 (E_RNA)
where:
Base-Base interactions energy: -142.999
where: short stacking energy: -69.821
Base-Backbone interact. energy: -0.001
local terms energy: -70.766605
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -21.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -154.112541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.112541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.112541 (E_RNA)
where:
Base-Base interactions energy: -92.956
where: short stacking energy: -52.159
Base-Backbone interact. energy: -0.037
local terms energy: -61.120352
where:
bonds (distance) C4'-P energy: -10.733
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -10.265
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: 6, replica: 4
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -99.920060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.920060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.920060 (E_RNA)
where:
Base-Base interactions energy: -38.955
where: short stacking energy: -38.955
Base-Backbone interact. energy: 1.683
local terms energy: -62.647957
where:
bonds (distance) C4'-P energy: -13.025
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -8.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -107.179348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.179348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.179348 (E_RNA)
where:
Base-Base interactions energy: -57.356
where: short stacking energy: -42.590
Base-Backbone interact. energy: -0.015
local terms energy: -49.807431
where:
bonds (distance) C4'-P energy: -9.900
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -8.656
flat angles P-C4'-P energy: -5.408
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: 8, replica: 10
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -75.912481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.912481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.912481 (E_RNA)
where:
Base-Base interactions energy: -26.004
where: short stacking energy: -25.630
Base-Backbone interact. energy: -0.961
local terms energy: -48.947549
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -9.429
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -1.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -99.766894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.766894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.766894 (E_RNA)
where:
Base-Base interactions energy: -59.329
where: short stacking energy: -29.058
Base-Backbone interact. energy: -0.134
local terms energy: -40.303967
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -1.634
tors. eta vs tors. theta energy: -0.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -78.175245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.175245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.175245 (E_RNA)
where:
Base-Base interactions energy: -39.026
where: short stacking energy: -35.122
Base-Backbone interact. energy: -0.084
local terms energy: -39.065779
where:
bonds (distance) C4'-P energy: -6.164
bonds (distance) P-C4' energy: -10.225
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -4.595
tors. eta vs tors. theta energy: -6.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -231.730957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.730957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.730957 (E_RNA)
where:
Base-Base interactions energy: -154.021
where: short stacking energy: -67.310
Base-Backbone interact. energy: -1.302
local terms energy: -76.407898
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -20.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -212.396383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.396383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.396383 (E_RNA)
where:
Base-Base interactions energy: -140.879
where: short stacking energy: -67.215
Base-Backbone interact. energy: 1.043
local terms energy: -72.560829
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -15.503
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -16.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -215.531094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.531094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.531094 (E_RNA)
where:
Base-Base interactions energy: -142.193
where: short stacking energy: -51.017
Base-Backbone interact. energy: 1.147
local terms energy: -74.484884
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -11.447
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: 4, replica: 2
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -219.602675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.602675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.602675 (E_RNA)
where:
Base-Base interactions energy: -153.180
where: short stacking energy: -64.715
Base-Backbone interact. energy: -0.661
local terms energy: -65.761399
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -18.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -173.560670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.560670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.560670 (E_RNA)
where:
Base-Base interactions energy: -111.540
where: short stacking energy: -57.453
Base-Backbone interact. energy: -0.581
local terms energy: -61.439878
where:
bonds (distance) C4'-P energy: -10.158
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -9.617
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: 6, replica: 4
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -81.021687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.021687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.021687 (E_RNA)
where:
Base-Base interactions energy: -40.451
where: short stacking energy: -25.071
Base-Backbone interact. energy: -0.526
local terms energy: -40.044826
where:
bonds (distance) C4'-P energy: -10.165
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: 3.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -90.518302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.518302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.518302 (E_RNA)
where:
Base-Base interactions energy: -28.953
where: short stacking energy: -28.953
Base-Backbone interact. energy: -0.092
local terms energy: -61.473307
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -9.791
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: 8, replica: 3
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -113.005673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.005673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.005673 (E_RNA)
where:
Base-Base interactions energy: -62.397
where: short stacking energy: -41.369
Base-Backbone interact. energy: -0.052
local terms energy: -50.556098
where:
bonds (distance) C4'-P energy: -5.803
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -6.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -72.869299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.869299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.869299 (E_RNA)
where:
Base-Base interactions energy: -23.861
where: short stacking energy: -23.861
Base-Backbone interact. energy: -0.234
local terms energy: -48.774830
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -8.283
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: 10, replica: 1
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -78.776546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.776546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.776546 (E_RNA)
where:
Base-Base interactions energy: -38.276
where: short stacking energy: -35.849
Base-Backbone interact. energy: -0.017
local terms energy: -40.482942
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -9.309
flat angles C4'-P-C4' energy: -8.516
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -2.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -226.977295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.977295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.977295 (E_RNA)
where:
Base-Base interactions energy: -146.498
where: short stacking energy: -73.766
Base-Backbone interact. energy: -0.022
local terms energy: -80.457589
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -18.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -220.777543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.777543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.777543 (E_RNA)
where:
Base-Base interactions energy: -142.806
where: short stacking energy: -71.699
Base-Backbone interact. energy: -1.175
local terms energy: -76.795682
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -21.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -201.195450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.195450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.195450 (E_RNA)
where:
Base-Base interactions energy: -127.686
where: short stacking energy: -54.260
Base-Backbone interact. energy: -0.656
local terms energy: -72.854012
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -20.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -211.959030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.959030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.959030 (E_RNA)
where:
Base-Base interactions energy: -140.879
where: short stacking energy: -53.771
Base-Backbone interact. energy: -0.107
local terms energy: -70.972955
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -8.014
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: 5, replica: 7
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -161.807736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.807736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.807736 (E_RNA)
where:
Base-Base interactions energy: -101.759
where: short stacking energy: -55.271
Base-Backbone interact. energy: -0.115
local terms energy: -59.933444
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -8.515
flat angles P-C4'-P energy: -10.688
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: 6, replica: 10
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -164.802332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.802332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.802332 (E_RNA)
where:
Base-Base interactions energy: -99.075
where: short stacking energy: -46.067
Base-Backbone interact. energy: -0.730
local terms energy: -64.997235
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -14.442
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: 4
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -92.166891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.166891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.166891 (E_RNA)
where:
Base-Base interactions energy: -44.673
where: short stacking energy: -26.681
Base-Backbone interact. energy: 0.776
local terms energy: -48.270214
where:
bonds (distance) C4'-P energy: -8.273
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -0.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -81.696018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.696018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.696018 (E_RNA)
where:
Base-Base interactions energy: -35.853
where: short stacking energy: -24.995
Base-Backbone interact. energy: -0.687
local terms energy: -45.156125
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -9.179
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: 0.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -92.608229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.608229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.608229 (E_RNA)
where:
Base-Base interactions energy: -40.662
where: short stacking energy: -26.483
Base-Backbone interact. energy: -1.146
local terms energy: -50.800828
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -10.385
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -1.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -78.472090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.472090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.472090 (E_RNA)
where:
Base-Base interactions energy: -24.061
where: short stacking energy: -23.397
Base-Backbone interact. energy: -0.129
local terms energy: -54.282131
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -11.318
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -7.166
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: 494
Temperature: 0.900000
Total energy: -228.858904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.858904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.858904 (E_RNA)
where:
Base-Base interactions energy: -146.387
where: short stacking energy: -69.184
Base-Backbone interact. energy: -0.749
local terms energy: -81.722504
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -21.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -219.416794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.416794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.416794 (E_RNA)
where:
Base-Base interactions energy: -144.168
where: short stacking energy: -62.184
Base-Backbone interact. energy: -0.029
local terms energy: -75.219912
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -21.326
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: 3, replica: 2
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -216.527028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.527028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.527028 (E_RNA)
where:
Base-Base interactions energy: -145.308
where: short stacking energy: -64.598
Base-Backbone interact. energy: -0.215
local terms energy: -71.003704
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -19.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -211.862437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.862437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.862437 (E_RNA)
where:
Base-Base interactions energy: -140.841
where: short stacking energy: -59.759
Base-Backbone interact. energy: -0.232
local terms energy: -70.789174
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -17.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -164.355163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.355163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.355163 (E_RNA)
where:
Base-Base interactions energy: -95.494
where: short stacking energy: -49.508
Base-Backbone interact. energy: -0.043
local terms energy: -68.817443
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -13.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -167.264690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.264690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.264690 (E_RNA)
where:
Base-Base interactions energy: -103.678
where: short stacking energy: -58.400
Base-Backbone interact. energy: -0.117
local terms energy: -63.469782
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -12.339
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -12.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -102.975379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.975379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.975379 (E_RNA)
where:
Base-Base interactions energy: -41.539
where: short stacking energy: -32.447
Base-Backbone interact. energy: -0.428
local terms energy: -61.008889
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -5.570
tors. eta vs tors. theta energy: -9.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -103.480961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.480961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.480961 (E_RNA)
where:
Base-Base interactions energy: -43.945
where: short stacking energy: -28.242
Base-Backbone interact. energy: -0.584
local terms energy: -58.952279
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -5.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -81.025824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.025824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.025824 (E_RNA)
where:
Base-Base interactions energy: -27.171
where: short stacking energy: -23.947
Base-Backbone interact. energy: 5.160
local terms energy: -59.014494
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -3.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -74.609181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.609181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.609181 (E_RNA)
where:
Base-Base interactions energy: -28.555
where: short stacking energy: -25.954
Base-Backbone interact. energy: 0.772
local terms energy: -46.826662
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -4.533
tors. eta vs tors. theta energy: 0.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -221.189063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.189063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.189063 (E_RNA)
where:
Base-Base interactions energy: -147.222
where: short stacking energy: -74.215
Base-Backbone interact. energy: -0.030
local terms energy: -73.937075
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -22.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -214.792577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.792577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.792577 (E_RNA)
where:
Base-Base interactions energy: -142.439
where: short stacking energy: -66.382
Base-Backbone interact. energy: -0.263
local terms energy: -72.089792
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -20.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -215.376618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.376618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.376618 (E_RNA)
where:
Base-Base interactions energy: -140.390
where: short stacking energy: -67.248
Base-Backbone interact. energy: -0.006
local terms energy: -74.980782
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -20.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -221.276476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.276476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.276476 (E_RNA)
where:
Base-Base interactions energy: -146.882
where: short stacking energy: -70.725
Base-Backbone interact. energy: -0.002
local terms energy: -74.391821
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -18.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -173.530297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.530297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.530297 (E_RNA)
where:
Base-Base interactions energy: -110.301
where: short stacking energy: -56.513
Base-Backbone interact. energy: -0.014
local terms energy: -63.215080
where:
bonds (distance) C4'-P energy: -10.389
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -9.522
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: 5
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -105.442762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.442762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.442762 (E_RNA)
where:
Base-Base interactions energy: -49.341
where: short stacking energy: -31.616
Base-Backbone interact. energy: 0.302
local terms energy: -56.403609
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -2.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -152.756134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.756134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.756134 (E_RNA)
where:
Base-Base interactions energy: -91.300
where: short stacking energy: -45.809
Base-Backbone interact. energy: -0.058
local terms energy: -61.398160
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -9.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -82.431716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.431716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.431716 (E_RNA)
where:
Base-Base interactions energy: -35.331
where: short stacking energy: -35.331
Base-Backbone interact. energy: -0.021
local terms energy: -47.079364
where:
bonds (distance) C4'-P energy: -7.698
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -1.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -88.437531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.437531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.437531 (E_RNA)
where:
Base-Base interactions energy: -37.802
where: short stacking energy: -32.780
Base-Backbone interact. energy: -0.763
local terms energy: -49.872621
where:
bonds (distance) C4'-P energy: -9.106
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -4.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -91.339313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.339313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.339313 (E_RNA)
where:
Base-Base interactions energy: -55.365
where: short stacking energy: -29.204
Base-Backbone interact. energy: -0.426
local terms energy: -35.548454
where:
bonds (distance) C4'-P energy: -8.905
bonds (distance) P-C4' energy: -11.365
flat angles C4'-P-C4' energy: -9.249
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: 1.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -225.602134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.602134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.602134 (E_RNA)
where:
Base-Base interactions energy: -142.416
where: short stacking energy: -66.052
Base-Backbone interact. energy: -0.634
local terms energy: -82.552335
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -22.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -218.272287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.272287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.272287 (E_RNA)
where:
Base-Base interactions energy: -144.842
where: short stacking energy: -64.891
Base-Backbone interact. energy: -0.041
local terms energy: -73.389302
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -20.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -228.908461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.908461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.908461 (E_RNA)
where:
Base-Base interactions energy: -143.296
where: short stacking energy: -70.363
Base-Backbone interact. energy: -0.000
local terms energy: -85.612509
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -22.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -211.508241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.508241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.508241 (E_RNA)
where:
Base-Base interactions energy: -140.631
where: short stacking energy: -60.346
Base-Backbone interact. energy: -2.162
local terms energy: -68.715088
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -18.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -172.984719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.984719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.984719 (E_RNA)
where:
Base-Base interactions energy: -104.989
where: short stacking energy: -51.384
Base-Backbone interact. energy: -0.352
local terms energy: -67.644564
where:
bonds (distance) C4'-P energy: -14.655
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -11.759
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: 5
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -95.592317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.592317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.592317 (E_RNA)
where:
Base-Base interactions energy: -38.353
where: short stacking energy: -34.437
Base-Backbone interact. energy: -0.121
local terms energy: -57.117877
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -8.996
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -4.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -147.537305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.537305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.537305 (E_RNA)
where:
Base-Base interactions energy: -94.243
where: short stacking energy: -48.238
Base-Backbone interact. energy: -0.043
local terms energy: -53.250479
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -11.421
flat angles C4'-P-C4' energy: -9.948
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -9.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -89.932771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.932771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.932771 (E_RNA)
where:
Base-Base interactions energy: -34.334
where: short stacking energy: -30.151
Base-Backbone interact. energy: -0.947
local terms energy: -54.652050
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -11.045
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -6.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -97.374622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.374622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.374622 (E_RNA)
where:
Base-Base interactions energy: -42.953
where: short stacking energy: -17.866
Base-Backbone interact. energy: -0.061
local terms energy: -54.360188
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -11.170
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -10.416
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: 10, replica: 4
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -77.440067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.440067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.440067 (E_RNA)
where:
Base-Base interactions energy: -33.588
where: short stacking energy: -24.943
Base-Backbone interact. energy: -0.251
local terms energy: -43.601188
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -8.526
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -1.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -231.149204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.149204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.149204 (E_RNA)
where:
Base-Base interactions energy: -152.236
where: short stacking energy: -70.429
Base-Backbone interact. energy: -0.398
local terms energy: -78.514757
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -22.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -217.564802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.564802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.564802 (E_RNA)
where:
Base-Base interactions energy: -138.505
where: short stacking energy: -63.374
Base-Backbone interact. energy: -0.005
local terms energy: -79.055324
where:
bonds (distance) C4'-P energy: -15.632
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -22.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -221.494227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.494227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.494227 (E_RNA)
where:
Base-Base interactions energy: -146.265
where: short stacking energy: -72.173
Base-Backbone interact. energy: -0.004
local terms energy: -75.225842
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -19.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -207.981102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.981102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.981102 (E_RNA)
where:
Base-Base interactions energy: -149.976
where: short stacking energy: -60.138
Base-Backbone interact. energy: -0.201
local terms energy: -57.803227
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -10.032
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: -12.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -177.619793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.619793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.619793 (E_RNA)
where:
Base-Base interactions energy: -107.269
where: short stacking energy: -61.756
Base-Backbone interact. energy: -0.005
local terms energy: -70.345953
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -14.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -141.364484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.364484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.364484 (E_RNA)
where:
Base-Base interactions energy: -79.171
where: short stacking energy: -41.959
Base-Backbone interact. energy: -0.253
local terms energy: -61.941057
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -7.676
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: 7, replica: 5
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -90.950939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.950939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.950939 (E_RNA)
where:
Base-Base interactions energy: -40.427
where: short stacking energy: -38.983
Base-Backbone interact. energy: -0.008
local terms energy: -50.515877
where:
bonds (distance) C4'-P energy: -8.513
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -5.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -83.208783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.208783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.208783 (E_RNA)
where:
Base-Base interactions energy: -26.270
where: short stacking energy: -26.270
Base-Backbone interact. energy: -0.028
local terms energy: -56.910740
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -6.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -85.810396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.810396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.810396 (E_RNA)
where:
Base-Base interactions energy: -37.536
where: short stacking energy: -20.514
Base-Backbone interact. energy: -0.086
local terms energy: -48.188131
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -12.064
flat angles C4'-P-C4' energy: -6.857
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -2.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -75.709847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.709847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.709847 (E_RNA)
where:
Base-Base interactions energy: -29.694
where: short stacking energy: -24.110
Base-Backbone interact. energy: -1.074
local terms energy: -44.942022
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -10.949
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: 4.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -224.842322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.842322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.842322 (E_RNA)
where:
Base-Base interactions energy: -148.294
where: short stacking energy: -71.625
Base-Backbone interact. energy: -0.033
local terms energy: -76.515895
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -20.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -216.929551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.929551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.929551 (E_RNA)
where:
Base-Base interactions energy: -149.716
where: short stacking energy: -59.155
Base-Backbone interact. energy: -1.022
local terms energy: -66.191348
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -10.986
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -19.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -218.257289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.257289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.257289 (E_RNA)
where:
Base-Base interactions energy: -150.787
where: short stacking energy: -59.315
Base-Backbone interact. energy: -1.411
local terms energy: -66.058891
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -13.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -213.644693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.644693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.644693 (E_RNA)
where:
Base-Base interactions energy: -142.106
where: short stacking energy: -65.091
Base-Backbone interact. energy: -0.046
local terms energy: -71.492617
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -21.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -174.271374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.271374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.271374 (E_RNA)
where:
Base-Base interactions energy: -101.306
where: short stacking energy: -48.717
Base-Backbone interact. energy: -0.101
local terms energy: -72.864663
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -15.717
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: 7
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -157.316813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.316813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.316813 (E_RNA)
where:
Base-Base interactions energy: -95.196
where: short stacking energy: -47.016
Base-Backbone interact. energy: -0.905
local terms energy: -61.215528
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -6.482
tors. eta vs tors. theta energy: -12.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -96.129416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.129416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.129416 (E_RNA)
where:
Base-Base interactions energy: -34.897
where: short stacking energy: -21.791
Base-Backbone interact. energy: -0.058
local terms energy: -61.174749
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -2.811
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: 5
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -92.539207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.539207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.539207 (E_RNA)
where:
Base-Base interactions energy: -27.901
where: short stacking energy: -27.901
Base-Backbone interact. energy: -1.371
local terms energy: -63.267413
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -6.366
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: 4
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -91.768848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.768848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.768848 (E_RNA)
where:
Base-Base interactions energy: -33.687
where: short stacking energy: -32.496
Base-Backbone interact. energy: 0.002
local terms energy: -58.083436
where:
bonds (distance) C4'-P energy: -9.118
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -10.822
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: 10, replica: 3
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -78.115947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.115947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.115947 (E_RNA)
where:
Base-Base interactions energy: -27.716
where: short stacking energy: -25.309
Base-Backbone interact. energy: -0.089
local terms energy: -50.310495
where:
bonds (distance) C4'-P energy: -10.307
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -4.054
tors. eta vs tors. theta energy: -4.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -226.392773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.392773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.392773 (E_RNA)
where:
Base-Base interactions energy: -147.370
where: short stacking energy: -74.366
Base-Backbone interact. energy: -0.102
local terms energy: -78.920363
where:
bonds (distance) C4'-P energy: -12.429
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -21.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -218.193158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.193158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.193158 (E_RNA)
where:
Base-Base interactions energy: -140.789
where: short stacking energy: -55.956
Base-Backbone interact. energy: -0.001
local terms energy: -77.403076
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -20.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -214.032445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.032445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.032445 (E_RNA)
where:
Base-Base interactions energy: -140.453
where: short stacking energy: -56.330
Base-Backbone interact. energy: -0.036
local terms energy: -73.543523
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -15.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -211.885918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.885918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.885918 (E_RNA)
where:
Base-Base interactions energy: -144.557
where: short stacking energy: -60.376
Base-Backbone interact. energy: -0.560
local terms energy: -66.769552
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -12.285
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -13.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -180.913952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.913952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.913952 (E_RNA)
where:
Base-Base interactions energy: -106.429
where: short stacking energy: -52.441
Base-Backbone interact. energy: -0.169
local terms energy: -74.316699
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -16.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -152.966223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.966223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.966223 (E_RNA)
where:
Base-Base interactions energy: -93.187
where: short stacking energy: -47.332
Base-Backbone interact. energy: -0.003
local terms energy: -59.776499
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -12.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -103.185135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.185135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.185135 (E_RNA)
where:
Base-Base interactions energy: -45.125
where: short stacking energy: -44.261
Base-Backbone interact. energy: -0.653
local terms energy: -57.406511
where:
bonds (distance) C4'-P energy: -13.240
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -11.494
flat angles P-C4'-P energy: -6.335
tors. eta vs tors. theta energy: -8.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -83.920606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.920606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.920606 (E_RNA)
where:
Base-Base interactions energy: -36.922
where: short stacking energy: -36.922
Base-Backbone interact. energy: -0.105
local terms energy: -46.893800
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -11.855
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -2.091
tors. eta vs tors. theta energy: -6.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -82.812764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.812764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.812764 (E_RNA)
where:
Base-Base interactions energy: -34.839
where: short stacking energy: -33.187
Base-Backbone interact. energy: -0.294
local terms energy: -47.679321
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -11.967
flat angles C4'-P-C4' energy: -10.618
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -5.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -73.359414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.359414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.359414 (E_RNA)
where:
Base-Base interactions energy: -20.597
where: short stacking energy: -13.300
Base-Backbone interact. energy: -0.067
local terms energy: -52.695480
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -5.771
tors. eta vs tors. theta energy: -1.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -225.886271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.886271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.886271 (E_RNA)
where:
Base-Base interactions energy: -141.749
where: short stacking energy: -71.765
Base-Backbone interact. energy: -0.040
local terms energy: -84.097786
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -19.374
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -22.095
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: 9
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -212.797597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.797597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.797597 (E_RNA)
where:
Base-Base interactions energy: -141.346
where: short stacking energy: -54.919
Base-Backbone interact. energy: -0.160
local terms energy: -71.292020
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -15.362
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: 2
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -211.746369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.746369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.746369 (E_RNA)
where:
Base-Base interactions energy: -148.510
where: short stacking energy: -53.017
Base-Backbone interact. energy: -0.215
local terms energy: -63.021308
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -9.236
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -18.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -197.300829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.300829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.300829 (E_RNA)
where:
Base-Base interactions energy: -127.014
where: short stacking energy: -62.047
Base-Backbone interact. energy: -0.097
local terms energy: -70.189341
where:
bonds (distance) C4'-P energy: -8.890
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -18.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -168.799454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.799454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.799454 (E_RNA)
where:
Base-Base interactions energy: -105.544
where: short stacking energy: -54.653
Base-Backbone interact. energy: -0.099
local terms energy: -63.155747
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -4.917
tors. eta vs tors. theta energy: -13.396
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: 10
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -151.688717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.688717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.688717 (E_RNA)
where:
Base-Base interactions energy: -97.479
where: short stacking energy: -42.794
Base-Backbone interact. energy: -0.135
local terms energy: -54.074957
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -2.150
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -8.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -90.097469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.097469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.097469 (E_RNA)
where:
Base-Base interactions energy: -46.755
where: short stacking energy: -35.443
Base-Backbone interact. energy: -0.960
local terms energy: -42.382844
where:
bonds (distance) C4'-P energy: -6.545
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -11.111
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -2.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -90.500891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.500891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.500891 (E_RNA)
where:
Base-Base interactions energy: -31.451
where: short stacking energy: -26.644
Base-Backbone interact. energy: 1.352
local terms energy: -60.401315
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -6.512
tors. eta vs tors. theta energy: -8.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -77.123367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.123367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.123367 (E_RNA)
where:
Base-Base interactions energy: -33.520
where: short stacking energy: -16.978
Base-Backbone interact. energy: -0.904
local terms energy: -42.699870
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -3.154
tors. eta vs tors. theta energy: 3.631
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: 5
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -77.134532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.134532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.134532 (E_RNA)
where:
Base-Base interactions energy: -33.684
where: short stacking energy: -32.630
Base-Backbone interact. energy: -0.460
local terms energy: -42.990409
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -10.128
flat angles P-C4'-P energy: -0.961
tors. eta vs tors. theta energy: -2.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -226.860062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.860062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.860062 (E_RNA)
where:
Base-Base interactions energy: -148.459
where: short stacking energy: -75.494
Base-Backbone interact. energy: -0.054
local terms energy: -78.346873
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -20.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -213.950360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.950360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.950360 (E_RNA)
where:
Base-Base interactions energy: -143.400
where: short stacking energy: -50.239
Base-Backbone interact. energy: -1.824
local terms energy: -68.726873
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -12.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -204.598535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.598535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.598535 (E_RNA)
where:
Base-Base interactions energy: -143.987
where: short stacking energy: -53.618
Base-Backbone interact. energy: -0.402
local terms energy: -60.209980
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -3.781
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: 4, replica: 8
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -199.425172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.425172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.425172 (E_RNA)
where:
Base-Base interactions energy: -125.185
where: short stacking energy: -60.311
Base-Backbone interact. energy: -0.166
local terms energy: -74.074121
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -16.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -171.916763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.916763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.916763 (E_RNA)
where:
Base-Base interactions energy: -106.016
where: short stacking energy: -51.805
Base-Backbone interact. energy: -0.236
local terms energy: -65.664119
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -12.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -160.595595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.595595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.595595 (E_RNA)
where:
Base-Base interactions energy: -99.073
where: short stacking energy: -52.884
Base-Backbone interact. energy: -0.088
local terms energy: -61.434769
where:
bonds (distance) C4'-P energy: -8.141
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -11.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -87.153650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.153650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.153650 (E_RNA)
where:
Base-Base interactions energy: -34.863
where: short stacking energy: -34.863
Base-Backbone interact. energy: -0.391
local terms energy: -51.899329
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: -5.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -78.471527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.471527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.471527 (E_RNA)
where:
Base-Base interactions energy: -27.803
where: short stacking energy: -22.549
Base-Backbone interact. energy: -0.201
local terms energy: -50.467782
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -8.786
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -4.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -78.250134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.250134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.250134 (E_RNA)
where:
Base-Base interactions energy: -34.054
where: short stacking energy: -27.812
Base-Backbone interact. energy: -0.299
local terms energy: -43.897957
where:
bonds (distance) C4'-P energy: -10.593
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -5.930
tors. eta vs tors. theta energy: 1.285
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: 10, replica: 5
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -69.983064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.983064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.983064 (E_RNA)
where:
Base-Base interactions energy: -34.440
where: short stacking energy: -17.115
Base-Backbone interact. energy: 0.996
local terms energy: -36.538714
where:
bonds (distance) C4'-P energy: -11.543
bonds (distance) P-C4' energy: -9.640
flat angles C4'-P-C4' energy: -8.861
flat angles P-C4'-P energy: -5.594
tors. eta vs tors. theta energy: -0.899
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)
replica 6 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 16469937
moves confirmed later: 19296330
all moves confirmed: 35766267
percent of confirmed moves: 4.470783
current total energy: -182.306966
recalc. total energy: -182.306966
replica 2 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 11358913
moves confirmed later: 12627624
all moves confirmed: 23986537
percent of confirmed moves: 2.998317
current total energy: -167.692288
recalc. total energy: -167.692288
replica 8 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 11777695
moves confirmed later: 13208864
all moves confirmed: 24986559
percent of confirmed moves: 3.123320
current total energy: -151.697092
recalc. total energy: -151.697092
replica 9 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 15540297
moves confirmed later: 17949733
all moves confirmed: 33490030
percent of confirmed moves: 4.186254
current total energy: -155.344174
recalc. total energy: -155.344174
replica 7 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 20042848
moves confirmed later: 24005062
all moves confirmed: 44047910
percent of confirmed moves: 5.505989
current total energy: -113.994403
recalc. total energy: -113.994403
replica 10 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 21478427
moves confirmed later: 25866555
all moves confirmed: 47344982
percent of confirmed moves: 5.918123
current total energy: -84.860022
recalc. total energy: -84.860022
replica 3 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 21923244
moves confirmed later: 26456973
all moves confirmed: 48380217
percent of confirmed moves: 6.047527
current total energy: -44.829997
recalc. total energy: -44.829997
replica 4 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 24965136
moves confirmed later: 30546816
all moves confirmed: 55511952
percent of confirmed moves: 6.938994
current total energy: -47.466139
recalc. total energy: -47.466139
replica 5 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 17237978
moves confirmed later: 20261621
all moves confirmed: 37499599
percent of confirmed moves: 4.687450
current total energy: -32.968122
recalc. total energy: -32.968122
replica 1 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 23536561
moves confirmed later: 28614582
all moves confirmed: 52151143
percent of confirmed moves: 6.518893
current total energy: -53.258988
recalc. total energy: -53.258988
out arg RESULTS//1/KFDV-a53d950c_01
Time of doing 8000000 iterations: 2955.962 seconds